1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine

C12H25N — CID 79852591

IUPAC1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CCCCC1(C)C
InChIInChI=1S/C12H25N/c1-5-11(13-4)10-8-6-7-9-12(10,2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyYMUGGGJVAJZKNN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine

1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine (PubChem CID 79852591) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
PubChem CID79852591
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CCCCC1(C)C
InChIInChI=1S/C12H25N/c1-5-11(13-4)10-8-6-7-9-12(10,2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyYMUGGGJVAJZKNN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
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
4-tert-Butylcyclohexylamine
CID 79396
(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
CID 71197
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
Propylhexedrine hydrochloride, (S)-
CID 111166
Cyclexedrine hydrochloride
CID 115662
2-Tert-butylcyclohexan-1-amine
CID 520760
N,4,4-trimethylcyclohexan-1-amine
CID 550846
1-Cyclohexyl-2,2-dimethylpropan-1-amine
CID 13739369

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine (CID 79852591) is 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine is CCC(NC)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine?
The InChIKey is YMUGGGJVAJZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-11(13-4)10-8-6-7-9-12(10,2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine?
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79852591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).