2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine

C13H27N — CID 64774304

IUPAC2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)NC1CC(C)CCC1C
InChIInChI=1S/C13H27N/c1-5-6-12(4)14-13-9-10(2)7-8-11(13)3/h10-14H,5-9H2,1-4H3
InChIKeyJNSZEWTYMHCJEH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds4

About 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine

2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine (PubChem CID 64774304) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
PubChem CID64774304
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)NC1CC(C)CCC1C
InChIInChI=1S/C13H27N/c1-5-6-12(4)14-13-9-10(2)7-8-11(13)3/h10-14H,5-9H2,1-4H3
InChIKeyJNSZEWTYMHCJEH-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79253771
3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
CID 83176423
2-methyl-N-pentan-2-ylthiolan-3-amine
CID 102671361
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248380
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine
CID 104531274
2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutanoic acid
CID 64762107
2,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 63994492
2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102904416
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine (CID 64774304) is 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine is CCCC(C)NC1CC(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine?
The InChIKey is JNSZEWTYMHCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-12(4)14-13-9-10(2)7-8-11(13)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine?
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64774304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).