Chemical ID: 4620490

c1cc2c(cc1C3CCCCC3)c4c5n2CCNC5CCCC4
Chemical ID:
4620490
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C3CCCCC3)c4c5n2CCNC5CCCC4
InChi [?]:
InChI=1/C21H28N2/c1-2-6-15(7-3-1)16-10-11-20-18(14-16)17-8-4-5-9-19-21(17)23(20)13-12-22-19/h10-11,14-15,19,22H,1-9,12-13H2
InChi Info:
AuxInfo=1/0/N:10,9,11,22,21,8,12,23,20,1,2,17,16,5,7,6,13,4,19,3,14,18,15/E:(2,3)(6,7)/rA:23cCCCCCCCCCCCCCCNCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s4;d13;s3s14;s15;s16;s17;s14s18;s19;s20;s21;s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.941
Area:491.244
Solvation:-1.3401
Coulombic:-16.9139
Bond Count [?]
All:27
Single:23
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:308.461
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.71
LogP (Chemaxon):4.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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