3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine

C13H27N — CID 107892409

IUPAC3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1(N)CCC(C)C(C)C1
InChIInChI=1S/C13H27N/c1-5-6-12(4)13(14)8-7-10(2)11(3)9-13/h10-12H,5-9,14H2,1-4H3
InChIKeyVLWZLEZRRLQEDX-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds3

About 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine

3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine (PubChem CID 107892409) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
PubChem CID107892409
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1(N)CCC(C)C(C)C1
InChIInChI=1S/C13H27N/c1-5-6-12(4)13(14)8-7-10(2)11(3)9-13/h10-12H,5-9,14H2,1-4H3
InChIKeyVLWZLEZRRLQEDX-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 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine (CID 107892409) is 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine is CCCC(C)C1(N)CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
The InChIKey is VLWZLEZRRLQEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-12(4)13(14)8-7-10(2)11(3)9-13/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine?
3,4-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 3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107892409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).