2-(dipropylamino)-2-(4-methylphenyl)acetonitrile

C15H22N2 — CID 84756866

IUPAC2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
SMILESCCCN(CCC)C(C#N)c1ccc(C)cc1
InChIInChI=1S/C15H22N2/c1-4-10-17(11-5-2)15(12-16)14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyROJNXCGIBKKPGG-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.68
Rot. Bonds6

About 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile

2-(dipropylamino)-2-(4-methylphenyl)acetonitrile (PubChem CID 84756866) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
PubChem CID84756866
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
SMILESCCCN(CCC)C(C#N)c1ccc(C)cc1
InChIInChI=1S/C15H22N2/c1-4-10-17(11-5-2)15(12-16)14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyROJNXCGIBKKPGG-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyano-(4-ethoxyphenyl)methyl]-propylamino]propanoic acid
CID 84757987
N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide
CID 82115689
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile
CID 84756999
2-(4-methylphenyl)pentanenitrile
CID 82074843
1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242
(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
CID 28764892
3-[[2-amino-1-(4-methylphenyl)ethyl]-ethylamino]propanenitrile
CID 55016365
2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile
CID 84756973
2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 11264160
2-(dimethylamino)-2-(4-ethylsulfanylphenyl)acetonitrile
CID 116909818
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile?
The IUPAC name of 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile (CID 84756866) is 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile is CCCN(CCC)C(C#N)c1ccc(C)cc1.
What is the InChIKey of 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile?
The InChIKey is ROJNXCGIBKKPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-10-17(11-5-2)15(12-16)14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile?
2-(dipropylamino)-2-(4-methylphenyl)acetonitrile has a molecular weight of 230.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2-(4-methylphenyl)acetonitrile is sourced from PubChem (CID 84756866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).