1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine

C17H27N — CID 114094805

IUPAC1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCc1cc(C)cc(CNCC2(C)CCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-9-15(2)11-16(10-14)12-18-13-17(3)7-5-4-6-8-17/h9-11,18H,4-8,12-13H2,1-3H3
InChIKeyHJIKVNSMNGOLEB-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.36
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine

1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine (PubChem CID 114094805) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
PubChem CID114094805
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCc1cc(C)cc(CNCC2(C)CCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-9-15(2)11-16(10-14)12-18-13-17(3)7-5-4-6-8-17/h9-11,18H,4-8,12-13H2,1-3H3
InChIKeyHJIKVNSMNGOLEB-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 63822199
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
CID 63821994
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,5-dimethylphenyl)methanamine
CID 115455608
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115876700
N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103753070
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
CID 115680392

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine (CID 114094805) is 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine is Cc1cc(C)cc(CNCC2(C)CCCCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The InChIKey is HJIKVNSMNGOLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-9-15(2)11-16(10-14)12-18-13-17(3)7-5-4-6-8-17/h9-11,18H,4-8,12-13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine?
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 114094805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).