N-methyl-3-pentan-2-ylcyclohexan-1-amine

C12H25N — CID 107888158

IUPACN-methyl-3-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1CCCC(NC)C1
InChIInChI=1S/C12H25N/c1-4-6-10(2)11-7-5-8-12(9-11)13-3/h10-13H,4-9H2,1-3H3
InChIKeyATYZQWULDJBCOA-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-3-pentan-2-ylcyclohexan-1-amine

N-methyl-3-pentan-2-ylcyclohexan-1-amine (PubChem CID 107888158) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-3-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pentan-2-ylcyclohexan-1-amine
PubChem CID107888158
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-3-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1CCCC(NC)C1
InChIInChI=1S/C12H25N/c1-4-6-10(2)11-7-5-8-12(9-11)13-3/h10-13H,4-9H2,1-3H3
InChIKeyATYZQWULDJBCOA-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160
N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine
CID 54196877
ethane;pentan-2-ylcyclohexane
CID 143225886
butane;pentan-2-ylcyclohexane
CID 143682251
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane
CID 163594435
N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide
CID 123742390
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
N,2-dimethyl-3-pentan-2-ylcyclopentan-1-amine
CID 107888213
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-3-pentan-2-ylcyclohexan-1-amine (CID 107888158) is N-methyl-3-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-3-pentan-2-ylcyclohexan-1-amine is CCCC(C)C1CCCC(NC)C1.
What is the InChIKey of N-methyl-3-pentan-2-ylcyclohexan-1-amine?
The InChIKey is ATYZQWULDJBCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-6-10(2)11-7-5-8-12(9-11)13-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-methyl-3-pentan-2-ylcyclohexan-1-amine?
N-methyl-3-pentan-2-ylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107888158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).