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

C13H27N — CID 63993685

IUPAC2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)NC1CCC(C)CC1C
InChIInChI=1S/C13H27N/c1-5-12(6-2)14-13-8-7-10(3)9-11(13)4/h10-14H,5-9H2,1-4H3
InChIKeyDUDQQWDLYGZCAL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds4

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

2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine (PubChem CID 63993685) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
PubChem CID63993685
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)NC1CCC(C)CC1C
InChIInChI=1S/C13H27N/c1-5-12(6-2)14-13-8-7-10(3)9-11(13)4/h10-14H,5-9H2,1-4H3
InChIKeyDUDQQWDLYGZCAL-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine (CID 63993685) is 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine is CCC(CC)NC1CCC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The InChIKey is DUDQQWDLYGZCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-12(6-2)14-13-8-7-10(3)9-11(13)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
2,4-dimethyl-N-pentan-3-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 2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine is sourced from PubChem (CID 63993685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).