1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine

C17H30N2 — CID 115317390

IUPAC1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCc1ccc(C(C)N(C)CCC(N)C(C)C)cc1C
InChIInChI=1S/C17H30N2/c1-12(2)17(18)9-10-19(6)15(5)16-8-7-13(3)14(4)11-16/h7-8,11-12,15,17H,9-10,18H2,1-6H3
InChIKeyWPSKEKYMQIXMGB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.67
Rot. Bonds6

About 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317390) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317390
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCc1ccc(C(C)N(C)CCC(N)C(C)C)cc1C
InChIInChI=1S/C17H30N2/c1-12(2)17(18)9-10-19(6)15(5)16-8-7-13(3)14(4)11-16/h7-8,11-12,15,17H,9-10,18H2,1-6H3
InChIKeyWPSKEKYMQIXMGB-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]pentane-1,3-diamine
CID 115317249
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
2-(3,4-dimethylphenyl)hexan-3-amine
CID 83047483
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 113285419
N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 119658373
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945577
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62682391
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (CID 115317390) is 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is Cc1ccc(C(C)N(C)CCC(N)C(C)C)cc1C.
What is the InChIKey of 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is WPSKEKYMQIXMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)17(18)9-10-19(6)15(5)16-8-7-13(3)14(4)11-16/h7-8,11-12,15,17H,9-10,18H2,1-6H3.
What are the key properties of 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).