3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine

C11H22N2O — CID 79461695

IUPAC3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c12-10-1-2-11(7-10)13-8-9-3-5-14-6-4-9/h9-11,13H,1-8,12H2
InChIKeyLEBHDKZPPCWXDM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.88
Rot. Bonds3

About 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine

3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine (PubChem CID 79461695) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
PubChem CID79461695
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c12-10-1-2-11(7-10)13-8-9-3-5-14-6-4-9/h9-11,13H,1-8,12H2
InChIKeyLEBHDKZPPCWXDM-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine 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-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine (CID 79461695) is 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine is NC1CCC(NCC2CCOCC2)C1.
What is the InChIKey of 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine?
The InChIKey is LEBHDKZPPCWXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-10-1-2-11(7-10)13-8-9-3-5-14-6-4-9/h9-11,13H,1-8,12H2.
What are the key properties of 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine?
3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).