1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine

C18H30N2 — CID 61449744

IUPAC1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCCC1CCC(N(C)CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-15-9-11-18(12-10-15)20(2)14-17(19)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14,19H2,1-2H3
InChIKeyGFQMEWHPEZNUSE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine

1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 61449744) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID61449744
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCCC1CCC(N(C)CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-15-9-11-18(12-10-15)20(2)14-17(19)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14,19H2,1-2H3
InChIKeyGFQMEWHPEZNUSE-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine
CID 54948683
trans-(1S,2S)-2-N-[(2S)-2-amino-3-phenylpropyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine
CID 102283859
1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929489
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
1-N-cyclopropyl-1-N-methyl-1,3-diphenylpropane-1,2-diamine
CID 43264930
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
CID 150832768
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
difluoromethylbenzene;ethylcyclopropane
CID 157034020
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine (CID 61449744) is 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine is CCC1CCC(N(C)CC(N)Cc2ccccc2)CC1.
What is the InChIKey of 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is GFQMEWHPEZNUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-15-9-11-18(12-10-15)20(2)14-17(19)13-16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14,19H2,1-2H3.
What are the key properties of 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine?
1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 61449744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).