Chemical ID: 4179034

CCN(CC)CCN(C)Cc1ccc(cc1)C(C)C
Chemical ID:
4179034
Name [?]:
N,N-diethyl-N'-[(4-isopropylphenyl)methyl]-N'-methyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCN(C)Cc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C17H30N2/c1-6-19(7-2)13-12-18(5)14-16-8-10-17(11-9-16)15(3)4/h8-11,15H,6-7,12-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,18,19,9,2,4,12,16,13,15,7,6,10,17,11,14,8,3/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:19cCCNCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30N2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:11.1825
Area:510.688
Solvation:-1.58473
Coulombic:-12.5178
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:262.434
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.88
LogP (Chemaxon):3.79

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Descriptor Annotations

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