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

C13H27N — CID 107892414

IUPAC2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1(N)CC(C)CCC1C
InChIInChI=1S/C13H27N/c1-5-6-11(3)13(14)9-10(2)7-8-12(13)4/h10-12H,5-9,14H2,1-4H3
InChIKeyCAVRCTJYDHNURL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds3

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

2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine (PubChem CID 107892414) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
PubChem CID107892414
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1(N)CC(C)CCC1C
InChIInChI=1S/C13H27N/c1-5-6-11(3)13(14)9-10(2)7-8-12(13)4/h10-12H,5-9,14H2,1-4H3
InChIKeyCAVRCTJYDHNURL-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine (CID 107892414) is 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine is CCCC(C)C1(N)CC(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
The InChIKey is CAVRCTJYDHNURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-11(3)13(14)9-10(2)7-8-12(13)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107892414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).