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

C17H28N2 — CID 61436717

IUPAC2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
SMILESCC1CCC(N(C)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-13-9-11-16(12-10-13)19(3)14(2)17(18)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,18H2,1-3H3
InChIKeyYNZSTMRGBDVFSW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds4

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

2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine (PubChem CID 61436717) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
PubChem CID61436717
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
SMILESCC1CCC(N(C)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-13-9-11-16(12-10-13)19(3)14(2)17(18)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,18H2,1-3H3
InChIKeyYNZSTMRGBDVFSW-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 80548256
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62778531
(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 30815552
2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 63406064
2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 78934792
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
2-methyl-3-[methyl-(4-methylcyclohexyl)amino]butanoic acid
CID 79408133
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine (CID 61436717) is 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine is CC1CCC(N(C)C(C)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine?
The InChIKey is YNZSTMRGBDVFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-9-11-16(12-10-13)19(3)14(2)17(18)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,18H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine?
2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 61436717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).