3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile

C12H22N2O — CID 61317504

IUPAC3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
SMILESCCC(CC)C(C#N)NCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-3-10(4-2)12(8-13)14-9-11-6-5-7-15-11/h10-12,14H,3-7,9H2,1-2H3
InChIKeyGMOVNFHLORJLOX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds6

About 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile

3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile (PubChem CID 61317504) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
PubChem CID61317504
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
SMILESCCC(CC)C(C#N)NCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-3-10(4-2)12(8-13)14-9-11-6-5-7-15-11/h10-12,14H,3-7,9H2,1-2H3
InChIKeyGMOVNFHLORJLOX-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 55062169
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
3-ethyl-1-(oxolan-2-yl)pentan-2-ol
CID 65148329
4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile
CID 66432127
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The IUPAC name of 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile (CID 61317504) is 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile.
What is the SMILES notation for 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The canonical SMILES for 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile is CCC(CC)C(C#N)NCC1CCCO1.
What is the InChIKey of 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The InChIKey is GMOVNFHLORJLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-10(4-2)12(8-13)14-9-11-6-5-7-15-11/h10-12,14H,3-7,9H2,1-2H3.
What are the key properties of 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile is sourced from PubChem (CID 61317504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).