2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine

C16H29NO2 — CID 55088254

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)OCC1CC=CCC1C
InChIInChI=1S/C16H29NO2/c1-13-6-3-4-7-15(13)12-19-14(2)10-17-11-16-8-5-9-18-16/h3-4,13-17H,5-12H2,1-2H3
InChIKeyFVDBEMSUDSFRAR-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.76
Rot. Bonds7

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine

2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55088254) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55088254
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)OCC1CC=CCC1C
InChIInChI=1S/C16H29NO2/c1-13-6-3-4-7-15(13)12-19-14(2)10-17-11-16-8-5-9-18-16/h3-4,13-17H,5-12H2,1-2H3
InChIKeyFVDBEMSUDSFRAR-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-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-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55088254) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)OCC1CC=CCC1C.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is FVDBEMSUDSFRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-6-3-4-7-15(13)12-19-14(2)10-17-11-16-8-5-9-18-16/h3-4,13-17H,5-12H2,1-2H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55088254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).