Chemical ID: 4172181

CCc1ccc(cc1)CN2CCCN(CC2)C
Chemical ID:
4172181
Name [?]:
1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepane
SMILES [?]:
CCc1ccc(cc1)CN2CCCN(CC2)C
InChi [?]:
InChI=1/C15H24N2/c1-3-14-5-7-15(8-6-14)13-17-10-4-9-16(2)11-12-17/h5-8H,3-4,9-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,12,4,8,5,7,13,11,15,16,9,3,6,14,10/E:(5,6)(7,8)/rA:17cCCCCCCCCCNCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s10s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:9.38151
Area:434.404
Solvation:-1.47859
Coulombic:-11.6147
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.365
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.67
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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