Chemical ID: 3968413

CC(C12CC3CC(C1)CC(C3)C2)N
Chemical ID:
3968413
Name [?]:
1-(1-adamantyl)ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)N
InChi [?]:
InChI=1/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,9,11,8,4,12,2,7,5,10,3,13/E:(2,3,4)(5,6,7)(9,10,11)/rA:13cCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.55029
Area:320.305
Solvation:-0.457348
Coulombic:-13.8181
Bond Count [?]
All:15
Single:15
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:179.302
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.58
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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