5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine

C14H25NO — CID 65177414

IUPAC5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(CC2CCOCC2)=CC(N)C1
InChIInChI=1S/C14H25NO/c1-14(2)9-12(8-13(15)10-14)7-11-3-5-16-6-4-11/h8,11,13H,3-7,9-10,15H2,1-2H3
InChIKeyLGPLQCSFYGVOFR-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.88
Rot. Bonds2

About 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine

5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 65177414) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
PubChem CID65177414
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(CC2CCOCC2)=CC(N)C1
InChIInChI=1S/C14H25NO/c1-14(2)9-12(8-13(15)10-14)7-11-3-5-16-6-4-11/h8,11,13H,3-7,9-10,15H2,1-2H3
InChIKeyLGPLQCSFYGVOFR-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-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 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine (CID 65177414) is 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine is CC1(C)CC(CC2CCOCC2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is LGPLQCSFYGVOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2)9-12(8-13(15)10-14)7-11-3-5-16-6-4-11/h8,11,13H,3-7,9-10,15H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine?
5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65177414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).