3-(dimethylamino)-3-(oxan-4-yl)propanenitrile

C10H18N2O — CID 116910000

IUPAC3-(dimethylamino)-3-(oxan-4-yl)propanenitrile
SMILESCN(C)C(CC#N)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-12(2)10(3-6-11)9-4-7-13-8-5-9/h9-10H,3-5,7-8H2,1-2H3
InChIKeyDPFQWBMRTAQFBK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds3

About 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile

3-(dimethylamino)-3-(oxan-4-yl)propanenitrile (PubChem CID 116910000) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-3-(oxan-4-yl)propanenitrile
PubChem CID116910000
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(dimethylamino)-3-(oxan-4-yl)propanenitrile
SMILESCN(C)C(CC#N)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-12(2)10(3-6-11)9-4-7-13-8-5-9/h9-10H,3-5,7-8H2,1-2H3
InChIKeyDPFQWBMRTAQFBK-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile?
The IUPAC name of 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile (CID 116910000) is 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile.
What is the SMILES notation for 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile?
The canonical SMILES for 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile is CN(C)C(CC#N)C1CCOCC1.
What is the InChIKey of 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile?
The InChIKey is DPFQWBMRTAQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12(2)10(3-6-11)9-4-7-13-8-5-9/h9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile?
3-(dimethylamino)-3-(oxan-4-yl)propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(oxan-4-yl)propanenitrile is sourced from PubChem (CID 116910000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).