Chemical ID: 4123413

CC(C12CC3CC(C1)CC(C3)C2)NCc4cccnc4
Chemical ID:
4123413
Name [?]:
1-(1-adamantyl)-N-(3-pyridylmethyl)ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NCc4cccnc4
InChi [?]:
InChI=1/C18H26N2/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18/h2-4,11,13,15-17,20H,5-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,6,9,11,8,4,12,20,14,2,15,7,5,10,3,19,13/E:(5,6,7)(8,9,10)(15,16,17)/rA:20cCCCCCCCCCCCCNCCCCCNC/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.77263
Area:454.28
Solvation:-1.58438
Coulombic:-15.0167
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.413
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.43
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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