3-(oxolan-3-ylmethylamino)propanenitrile

C8H14N2O — CID 43207692

IUPAC3-(oxolan-3-ylmethylamino)propanenitrile
SMILESN#CCCNCC1CCOC1
InChIInChI=1S/C8H14N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-2,4-7H2
InChIKeyXOIIMBMFUNMUTA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.53
Rot. Bonds4

About 3-(oxolan-3-ylmethylamino)propanenitrile

3-(oxolan-3-ylmethylamino)propanenitrile (PubChem CID 43207692) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name3-(oxolan-3-ylmethylamino)propanenitrile
PubChem CID43207692
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(oxolan-3-ylmethylamino)propanenitrile
SMILESN#CCCNCC1CCOC1
InChIInChI=1S/C8H14N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-2,4-7H2
InChIKeyXOIIMBMFUNMUTA-UHFFFAOYSA-N
XLogP0.53
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(oxolan-3-ylmethylamino)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(oxolan-3-ylmethylamino)butanenitrile
CID 61040172
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
CID 65253924
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N-(oxan-3-ylmethyl)pent-3-yn-1-amine
CID 104806406
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
3-[(3-hydroxycyclopentyl)methylamino]propanenitrile
CID 106129878
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
4-(oxolan-3-ylmethylamino)butanoic acid
CID 60782844

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethylamino)propanenitrile?
The IUPAC name of 3-(oxolan-3-ylmethylamino)propanenitrile (CID 43207692) is 3-(oxolan-3-ylmethylamino)propanenitrile.
What is the SMILES notation for 3-(oxolan-3-ylmethylamino)propanenitrile?
The canonical SMILES for 3-(oxolan-3-ylmethylamino)propanenitrile is N#CCCNCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethylamino)propanenitrile?
The InChIKey is XOIIMBMFUNMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-2,4-7H2.
What are the key properties of 3-(oxolan-3-ylmethylamino)propanenitrile?
3-(oxolan-3-ylmethylamino)propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethylamino)propanenitrile is sourced from PubChem (CID 43207692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).