3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile

C10H18N2O — CID 63557953

IUPAC3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CCOC1
InChIInChI=1S/C10H18N2O/c1-3-12(7-9(2)6-11)10-4-5-13-8-10/h9-10H,3-5,7-8H2,1-2H3
InChIKeyGEIXHZPVOPSKFR-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds4

About 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile

3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile (PubChem CID 63557953) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile
PubChem CID63557953
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CCOC1
InChIInChI=1S/C10H18N2O/c1-3-12(7-9(2)6-11)10-4-5-13-8-10/h9-10H,3-5,7-8H2,1-2H3
InChIKeyGEIXHZPVOPSKFR-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 63556391
3-[(3-aminocyclobutyl)-ethylamino]-2-methylpropanenitrile
CID 80561795
3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile
CID 64737955
2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile
CID 82748975
N-(2-cyanopropyl)-N-ethyloxane-4-carboxamide
CID 61381712
N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
CID 63014346
1-ethyl-2-methyl-1-[(3S)-oxolan-3-yl]hydrazine
CID 167271986
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82738157
N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]oxolan-3-amine
CID 176568568

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile (CID 63557953) is 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)C1CCOC1.
What is the InChIKey of 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile?
The InChIKey is GEIXHZPVOPSKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12(7-9(2)6-11)10-4-5-13-8-10/h9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile?
3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 63557953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).