Chemical ID: 7245669

CN(CCCN)Cc1ccccc1
Chemical ID:
7245669
Name [?]:
N-benzyl-N-methyl-propane-1,3-diamine
SMILES [?]:
CN(CCCN)Cc1ccccc1
InChi [?]:
InChI=1/C11H18N2/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,4,9,13,5,3,7,8,6,2/E:(3,4)(6,7)/rA:13cCNCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s2;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18N2
All Atoms:31
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.86539
Area:377.942
Solvation:-1.58317
Coulombic:-18.8378
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:178.274
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.36
LogP (Chemaxon):1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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