9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

C13H26N2O — CID 20522658

IUPAC9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCC(C)CCCN1C2COCC1CC(N)C2
InChIInChI=1S/C13H26N2O/c1-10(2)4-3-5-15-12-6-11(14)7-13(15)9-16-8-12/h10-13H,3-9,14H2,1-2H3
InChIKeyZOKIPYTVNHSNNL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 20522658) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound Name9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
PubChem CID20522658
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCC(C)CCCN1C2COCC1CC(N)C2
InChIInChI=1S/C13H26N2O/c1-10(2)4-3-5-15-12-6-11(14)7-13(15)9-16-8-12/h10-13H,3-9,14H2,1-2H3
InChIKeyZOKIPYTVNHSNNL-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-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 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (CID 20522658) is 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is CC(C)CCCN1C2COCC1CC(N)C2.
What is the InChIKey of 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is ZOKIPYTVNHSNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)4-3-5-15-12-6-11(14)7-13(15)9-16-8-12/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpentyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 20522658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).