3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile

C17H24N2O — CID 62780066

IUPAC3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile
SMILESCOCCN(C(CC#N)c1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H24N2O/c1-14(15-8-9-15)19(12-13-20-2)17(10-11-18)16-6-4-3-5-7-16/h3-7,14-15,17H,8-10,12-13H2,1-2H3
InChIKeyGIJNRQUDWWWSII-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.39
Rot. Bonds8

About 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile

3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile (PubChem CID 62780066) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile
PubChem CID62780066
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile
SMILESCOCCN(C(CC#N)c1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H24N2O/c1-14(15-8-9-15)19(12-13-20-2)17(10-11-18)16-6-4-3-5-7-16/h3-7,14-15,17H,8-10,12-13H2,1-2H3
InChIKeyGIJNRQUDWWWSII-UHFFFAOYSA-N
XLogP3.39
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66472244
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
3-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenylpropanenitrile
CID 62780068
2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 62778905
6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 64594719
3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
CID 62779229
3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile
CID 55248926
3-(dibutylamino)-3-phenylpropanenitrile
CID 62779901
3-(3-methoxypropoxy)-3-phenylpropanenitrile
CID 115001313
N-cyclopropyl-N-(2-methoxyethyl)-1-phenylpropane-1,3-diamine
CID 62780206

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile?
The IUPAC name of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile (CID 62780066) is 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile is COCCN(C(CC#N)c1ccccc1)C(C)C1CC1.
What is the InChIKey of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile?
The InChIKey is GIJNRQUDWWWSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(15-8-9-15)19(12-13-20-2)17(10-11-18)16-6-4-3-5-7-16/h3-7,14-15,17H,8-10,12-13H2,1-2H3.
What are the key properties of 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile?
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile has a molecular weight of 272.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile is sourced from PubChem (CID 62780066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).