Chemical ID: 5699079

CCc1ccc2c(c1)c3c4n2CC[NH2+]C4CCC3
Chemical ID:
5699079
Name [?]:
None
SMILES [?]:
CCc1ccc2c(c1)c3c4n2CC[NH2+]C4CCC3
InChi [?]:
InChI=1/C16H20N2/c1-2-11-6-7-15-13(10-11)12-4-3-5-14-16(12)18(15)9-8-17-14/h6-7,10,14,17H,2-5,8-9H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,4,5,13,12,8,3,9,7,15,6,10,14,11/rA:18cCCCCCCCCCCNCCN+CCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s11;s12;s13;s10s14;s15;s16;s9s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N2+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-23.1627
Area:409.145
Solvation:-33.3913
Coulombic:27.5759
Bond Count [?]
All:21
Single:17
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:241.351
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.27
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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