Chemical ID: 4152104

CCN(CC)CCCNc1c2ccccc2nc3c1CCC3
Chemical ID:
4152104
Name [?]:
None
SMILES [?]:
CCN(CC)CCCNc1c2ccccc2nc3c1CCC3
InChi [?]:
InChI=1/C19H27N3/c1-3-22(4-2)14-8-13-20-19-15-9-5-6-11-17(15)21-18-12-7-10-16(18)19/h5-6,9,11H,3-4,7-8,10,12-14H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,21,7,12,20,15,22,8,6,11,19,16,18,10,9,17,3/E:(1,2)(3,4)/rA:22nCCNCCCCCNCCCCCCCNCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.2376
Area:528.717
Solvation:-1.98031
Coulombic:-22.6165
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.438
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.18
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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