1-(oxan-4-yl)pyrrolidin-3-amine

C9H18N2O — CID 43610259

IUPAC1-(oxan-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCOCC2)C1
InChIInChI=1S/C9H18N2O/c10-8-1-4-11(7-8)9-2-5-12-6-3-9/h8-9H,1-7,10H2
InChIKeyZFQDRISFVOYKQU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.20
Rot. Bonds1

About 1-(oxan-4-yl)pyrrolidin-3-amine

1-(oxan-4-yl)pyrrolidin-3-amine (PubChem CID 43610259) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(oxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)pyrrolidin-3-amine
PubChem CID43610259
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(oxan-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCOCC2)C1
InChIInChI=1S/C9H18N2O/c10-8-1-4-11(7-8)9-2-5-12-6-3-9/h8-9H,1-7,10H2
InChIKeyZFQDRISFVOYKQU-UHFFFAOYSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-yl)pyrrolidin-3-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 1-(oxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(oxan-4-yl)pyrrolidin-3-amine (CID 43610259) is 1-(oxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(oxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(oxan-4-yl)pyrrolidin-3-amine is NC1CCN(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)pyrrolidin-3-amine?
The InChIKey is ZFQDRISFVOYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-8-1-4-11(7-8)9-2-5-12-6-3-9/h8-9H,1-7,10H2.
What are the key properties of 1-(oxan-4-yl)pyrrolidin-3-amine?
1-(oxan-4-yl)pyrrolidin-3-amine has a molecular weight of 170.26 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 43610259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).