3-(oxolan-3-ylmethylamino)pentanenitrile

C10H18N2O — CID 61040306

IUPAC3-(oxolan-3-ylmethylamino)pentanenitrile
SMILESCCC(CC#N)NCC1CCOC1
InChIInChI=1S/C10H18N2O/c1-2-10(3-5-11)12-7-9-4-6-13-8-9/h9-10,12H,2-4,6-8H2,1H3
InChIKeyWWXREWIPZNPEHP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds5

About 3-(oxolan-3-ylmethylamino)pentanenitrile

3-(oxolan-3-ylmethylamino)pentanenitrile (PubChem CID 61040306) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name3-(oxolan-3-ylmethylamino)pentanenitrile
PubChem CID61040306
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(oxolan-3-ylmethylamino)pentanenitrile
SMILESCCC(CC#N)NCC1CCOC1
InChIInChI=1S/C10H18N2O/c1-2-10(3-5-11)12-7-9-4-6-13-8-9/h9-10,12H,2-4,6-8H2,1H3
InChIKeyWWXREWIPZNPEHP-UHFFFAOYSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethylamino)pentanenitrile?
The IUPAC name of 3-(oxolan-3-ylmethylamino)pentanenitrile (CID 61040306) is 3-(oxolan-3-ylmethylamino)pentanenitrile.
What is the SMILES notation for 3-(oxolan-3-ylmethylamino)pentanenitrile?
The canonical SMILES for 3-(oxolan-3-ylmethylamino)pentanenitrile is CCC(CC#N)NCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethylamino)pentanenitrile?
The InChIKey is WWXREWIPZNPEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(3-5-11)12-7-9-4-6-13-8-9/h9-10,12H,2-4,6-8H2,1H3.
What are the key properties of 3-(oxolan-3-ylmethylamino)pentanenitrile?
3-(oxolan-3-ylmethylamino)pentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethylamino)pentanenitrile is sourced from PubChem (CID 61040306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).