3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile

C12H22N2O — CID 65160783

IUPAC3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)CCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-11(2)14(8-4-7-13)9-6-12-5-3-10-15-12/h11-12H,3-6,8-10H2,1-2H3
InChIKeyZXLXAVSDEZVABE-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.18
Rot. Bonds6

About 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile

3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile (PubChem CID 65160783) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
PubChem CID65160783
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)CCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-11(2)14(8-4-7-13)9-6-12-5-3-10-15-12/h11-12H,3-6,8-10H2,1-2H3
InChIKeyZXLXAVSDEZVABE-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 80671629
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
CID 62491240
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
CID 65161581
N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
CID 62735321
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65161777
N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 43289554

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile (CID 65160783) is 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)CCC1CCCO1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile?
The InChIKey is ZXLXAVSDEZVABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)14(8-4-7-13)9-6-12-5-3-10-15-12/h11-12H,3-6,8-10H2,1-2H3.
What are the key properties of 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile?
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 65160783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).