3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile

C12H22N2O — CID 65161581

IUPAC3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
SMILESCCN(CCC#N)CCCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-2-14(10-5-8-13)9-3-6-12-7-4-11-15-12/h12H,2-7,9-11H2,1H3
InChIKeyYJFOVVJJWVCHIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.18
Rot. Bonds7

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

3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile (PubChem CID 65161581) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
PubChem CID65161581
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
SMILESCCN(CCC#N)CCCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-2-14(10-5-8-13)9-3-6-12-7-4-11-15-12/h12H,2-7,9-11H2,1H3
InChIKeyYJFOVVJJWVCHIW-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile
CID 158767519
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
2-(3-bromopropyl)oxolane
CID 15783712
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
CID 65166215
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
2-tetradecyloxolane
CID 10683364

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile (CID 65161581) is 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile is CCN(CCC#N)CCCC1CCCO1.
What is the InChIKey of 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile?
The InChIKey is YJFOVVJJWVCHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-14(10-5-8-13)9-3-6-12-7-4-11-15-12/h12H,2-7,9-11H2,1H3.
What are the key properties of 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile?
3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile is sourced from PubChem (CID 65161581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).