3-methylidene-1-(oxan-4-yl)pentan-1-amine

C11H21NO — CID 66038049

IUPAC3-methylidene-1-(oxan-4-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-9(2)8-11(12)10-4-6-13-7-5-10/h10-11H,2-8,12H2,1H3
InChIKeyXFHWIBWFDYTVQW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds4

About 3-methylidene-1-(oxan-4-yl)pentan-1-amine

3-methylidene-1-(oxan-4-yl)pentan-1-amine (PubChem CID 66038049) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methylidene-1-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(oxan-4-yl)pentan-1-amine
PubChem CID66038049
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methylidene-1-(oxan-4-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-9(2)8-11(12)10-4-6-13-7-5-10/h10-11H,2-8,12H2,1H3
InChIKeyXFHWIBWFDYTVQW-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methylidene-1-(oxan-4-yl)pentan-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 3-methylidene-1-(oxan-4-yl)pentan-1-amine?
The IUPAC name of 3-methylidene-1-(oxan-4-yl)pentan-1-amine (CID 66038049) is 3-methylidene-1-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for 3-methylidene-1-(oxan-4-yl)pentan-1-amine is C=C(CC)CC(N)C1CCOCC1.
What is the InChIKey of 3-methylidene-1-(oxan-4-yl)pentan-1-amine?
The InChIKey is XFHWIBWFDYTVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(2)8-11(12)10-4-6-13-7-5-10/h10-11H,2-8,12H2,1H3.
What are the key properties of 3-methylidene-1-(oxan-4-yl)pentan-1-amine?
3-methylidene-1-(oxan-4-yl)pentan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 66038049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).