N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine

C17H28N2 — CID 62778531

IUPACN-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
SMILESCC1CCC(N(C)C(CCN)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(2)17(12-13-18)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,18H2,1-2H3
InChIKeyNAKMJKJCLHXDHV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds5

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

N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine (PubChem CID 62778531) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
PubChem CID62778531
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
SMILESCC1CCC(N(C)C(CCN)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(2)17(12-13-18)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,18H2,1-2H3
InChIKeyNAKMJKJCLHXDHV-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62780382
1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61438895
2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
CID 61436717
N-cyclopropyl-N-(2-methoxyethyl)-1-phenylpropane-1,3-diamine
CID 62780206
1-(4-ethoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61439040
N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine
CID 62779701
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
CID 62780378
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine (CID 62778531) is N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine is CC1CCC(N(C)C(CCN)c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
The InChIKey is NAKMJKJCLHXDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(2)17(12-13-18)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,18H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine?
N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 5 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-phenylpropane-1,3-diamine is sourced from PubChem (CID 62778531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).