N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine

C12H25N — CID 155019686

IUPACN-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine
SMILESCNCC1CCC(CC(C)C)CC1
InChIInChI=1S/C12H25N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h10-13H,4-9H2,1-3H3
InChIKeyGJAJJFGYAOFLLY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine

N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine (PubChem CID 155019686) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine
PubChem CID155019686
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine
SMILESCNCC1CCC(CC(C)C)CC1
InChIInChI=1S/C12H25N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h10-13H,4-9H2,1-3H3
InChIKeyGJAJJFGYAOFLLY-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Propylhexedrine
CID 7558
Cyclohexaneethanamine, N,alpha-dimethyl-, hydrochloride (1:1)
CID 102541
(2-Cyclohexylethyl)(methyl)amine
CID 43930
4-(Cyclohexylmethyl)piperidine
CID 98883
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
CID 71197
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
(Cyclohexylmethyl)(methyl)amine
CID 117276
N,4-Dimethylcyclohexanamine
CID 4962029
Propylhexedrine hydrochloride, (S)-
CID 111166
Cyclexedrine hydrochloride
CID 115662
Cyclohexaneethylamine, N,alpha,alpha-trimethyl-
CID 199972

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine (CID 155019686) is N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine is CNCC1CCC(CC(C)C)CC1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine?
The InChIKey is GJAJJFGYAOFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine?
N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine is sourced from PubChem (CID 155019686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).