2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine

C16H26N2 — CID 65486260

IUPAC2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
SMILESCC1CCC(N)C(N(C)CCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13-8-9-15(17)16(12-13)18(2)11-10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3
InChIKeyIRQXNJCNJYCFCY-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.68
Rot. Bonds4

About 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine

2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine (PubChem CID 65486260) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
PubChem CID65486260
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
SMILESCC1CCC(N)C(N(C)CCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13-8-9-15(17)16(12-13)18(2)11-10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3
InChIKeyIRQXNJCNJYCFCY-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N,4-trimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65487409
2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
CID 43100966
1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
CID 80561805
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102
2,2-dimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855111
N,3-dimethyl-N-(2-phenylethyl)piperidin-4-amine
CID 65487041
2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
CID 102627924
2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62615898
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine (CID 65486260) is 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine is CC1CCC(N)C(N(C)CCc2ccccc2)C1.
What is the InChIKey of 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
The InChIKey is IRQXNJCNJYCFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-8-9-15(17)16(12-13)18(2)11-10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3.
What are the key properties of 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine?
2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 65486260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).