1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine

C12H25N — CID 79308579

IUPAC1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CCC(C)CC1C
InChIInChI=1S/C12H25N/c1-5-12(13-4)11-7-6-9(2)8-10(11)3/h9-13H,5-8H2,1-4H3
InChIKeyBMOZGMYPNGLXAV-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds3

About 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine

1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine (PubChem CID 79308579) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine
PubChem CID79308579
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CCC(C)CC1C
InChIInChI=1S/C12H25N/c1-5-12(13-4)11-7-6-9(2)8-10(11)3/h9-13H,5-8H2,1-4H3
InChIKeyBMOZGMYPNGLXAV-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine
CID 106664352
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
N-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536
N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
CID 130624611
N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine
CID 79308584
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
1-[1-(2-methylcyclobutyl)propylamino]ethanol
CID 89249313
3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine
CID 107187935
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine (CID 79308579) is 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine is CCC(NC)C1CCC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine?
The InChIKey is BMOZGMYPNGLXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-12(13-4)11-7-6-9(2)8-10(11)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine?
1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79308579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).