Chemical ID: 7090641

c1ccc(cc1)CCN2CCCNCC2
Chemical ID:
7090641
Name [?]:
1-phenethyl-1,4-diazepane
SMILES [?]:
c1ccc(cc1)CCN2CCCNCC2
InChi [?]:
InChI=1/C13H20N2/c1-2-5-13(6-3-1)7-11-15-10-4-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,7,12,14,10,8,15,4,13,9/E:(2,3)(5,6)/rA:15cCCCCCCCCNCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2
All Atoms:35
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.52863
Area:395.591
Solvation:-1.36116
Coulombic:-15.5429
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.311
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.69
LogP (Chemaxon):1.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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