1-(oxan-4-yl)propan-2-imine

C8H15NO — CID 138517546

IUPAC1-(oxan-4-yl)propan-2-imine
SMILES[H]/N=C(\C)CC1CCOCC1
InChIInChI=1S/C8H15NO/c1-7(9)6-8-2-4-10-5-3-8/h8-9H,2-6H2,1H3/b9-7+
InChIKeyYYBCOYKIYMPLGP-VQHVLOKHSA-N
MW141.21 g/mol
LogP1.84
Rot. Bonds2

About 1-(oxan-4-yl)propan-2-imine

1-(oxan-4-yl)propan-2-imine (PubChem CID 138517546) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(oxan-4-yl)propan-2-imine.

Molecular Properties

Compound Name1-(oxan-4-yl)propan-2-imine
PubChem CID138517546
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(oxan-4-yl)propan-2-imine
SMILES[H]/N=C(\C)CC1CCOCC1
InChIInChI=1S/C8H15NO/c1-7(9)6-8-2-4-10-5-3-8/h8-9H,2-6H2,1H3/b9-7+
InChIKeyYYBCOYKIYMPLGP-VQHVLOKHSA-N
XLogP1.84
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(oxan-4-yl)propan-2-imine 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 1-(oxan-4-yl)propan-2-imine?
The IUPAC name of 1-(oxan-4-yl)propan-2-imine (CID 138517546) is 1-(oxan-4-yl)propan-2-imine.
What is the SMILES notation for 1-(oxan-4-yl)propan-2-imine?
The canonical SMILES for 1-(oxan-4-yl)propan-2-imine is [H]/N=C(\C)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)propan-2-imine?
The InChIKey is YYBCOYKIYMPLGP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(9)6-8-2-4-10-5-3-8/h8-9H,2-6H2,1H3/b9-7+.
What are the key properties of 1-(oxan-4-yl)propan-2-imine?
1-(oxan-4-yl)propan-2-imine has a molecular weight of 141.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)propan-2-imine is sourced from PubChem (CID 138517546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).