2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C13H25NO — CID 43180083

IUPAC2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC2CCCO2)C1C
InChIInChI=1S/C13H25NO/c1-10-5-3-7-13(11(10)2)14-9-12-6-4-8-15-12/h10-14H,3-9H2,1-2H3
InChIKeyKUMFYHSWFHFJGB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 43180083) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID43180083
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC2CCCO2)C1C
InChIInChI=1S/C13H25NO/c1-10-5-3-7-13(11(10)2)14-9-12-6-4-8-15-12/h10-14H,3-9H2,1-2H3
InChIKeyKUMFYHSWFHFJGB-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 43180083) is 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CC1CCCC(NCC2CCCO2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is KUMFYHSWFHFJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-3-7-13(11(10)2)14-9-12-6-4-8-15-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43180083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).