N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine

C16H25N — CID 59097197

IUPACN-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine
SMILESCNC[C@H]1CCCC[C@]1(C)c1cccc(C)c1
InChIInChI=1S/C16H25N/c1-13-7-6-9-14(11-13)16(2)10-5-4-8-15(16)12-17-3/h6-7,9,11,15,17H,4-5,8,10,12H2,1-3H3/t15-,16-/m1/s1
InChIKeyQJUJMKRHJCDTGS-HZPDHXFCSA-N
MW231.38 g/mol
LogP3.66
Rot. Bonds3

About N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine

N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine (PubChem CID 59097197) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine
PubChem CID59097197
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine
SMILESCNC[C@H]1CCCC[C@]1(C)c1cccc(C)c1
InChIInChI=1S/C16H25N/c1-13-7-6-9-14(11-13)16(2)10-5-4-8-15(16)12-17-3/h6-7,9,11,15,17H,4-5,8,10,12H2,1-3H3/t15-,16-/m1/s1
InChIKeyQJUJMKRHJCDTGS-HZPDHXFCSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-methyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 66423749
3-[(1S,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
CID 40616047
N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708366
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine
CID 121227280
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83209959
N-methyl-1-[(2R)-2-methyl-2-(4-methylphenyl)cyclopropyl]methanamine
CID 143290499
(1R)-2-cyclobutyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 105453912
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
[2-cyclopentyl-2-(3-methylphenyl)cyclopropyl]methanol
CID 105488570

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine (CID 59097197) is N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine is CNC[C@H]1CCCC[C@]1(C)c1cccc(C)c1.
What is the InChIKey of N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine?
The InChIKey is QJUJMKRHJCDTGS-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H25N/c1-13-7-6-9-14(11-13)16(2)10-5-4-8-15(16)12-17-3/h6-7,9,11,15,17H,4-5,8,10,12H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine?
N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1S,2S)-2-methyl-2-(3-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 59097197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).