N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine

C16H26N2 — CID 61439510

IUPACN-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
SMILESCC1CCC(N(C)C(CN)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-13-8-10-15(11-9-13)18(2)16(12-17)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3
InChIKeyIUUZNCZIDHHXMW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine

N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine (PubChem CID 61439510) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
PubChem CID61439510
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
SMILESCC1CCC(N(C)C(CN)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-13-8-10-15(11-9-13)18(2)16(12-17)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3
InChIKeyIUUZNCZIDHHXMW-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62778531
1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61438895
1-(4-ethoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61439040
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
1-(5-bromothiophen-3-yl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 112739698
2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
CID 61436717
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62132615
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine (CID 61439510) is N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine is CC1CCC(N(C)C(CN)c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine?
The InChIKey is IUUZNCZIDHHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-8-10-15(11-9-13)18(2)16(12-17)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,17H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine?
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 61439510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).