5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile

C15H21ClN2 — CID 113489698

IUPAC5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
SMILESCC(NCC(C)(C)CCC#N)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2/c1-12(13-5-7-14(16)8-6-13)18-11-15(2,3)9-4-10-17/h5-8,12,18H,4,9,11H2,1-3H3
InChIKeyRGFCCMCOYSSVHX-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.32
Rot. Bonds6

About 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile

5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile (PubChem CID 113489698) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
PubChem CID113489698
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
SMILESCC(NCC(C)(C)CCC#N)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2/c1-12(13-5-7-14(16)8-6-13)18-11-15(2,3)9-4-10-17/h5-8,12,18H,4,9,11H2,1-3H3
InChIKeyRGFCCMCOYSSVHX-UHFFFAOYSA-N
XLogP4.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434200
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179
5-[1-(3-bromophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489727
4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile
CID 113489749
4,4-dimethyl-5-[1-(5-methylthiophen-2-yl)ethylamino]pentanenitrile
CID 113489849
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
5-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,2-dimethylpentanenitrile
CID 81353286
5-[2-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113242821
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
CID 113489921
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile
CID 21396505

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile (CID 113489698) is 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile is CC(NCC(C)(C)CCC#N)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
The InChIKey is RGFCCMCOYSSVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-12(13-5-7-14(16)8-6-13)18-11-15(2,3)9-4-10-17/h5-8,12,18H,4,9,11H2,1-3H3.
What are the key properties of 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile?
5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile has a molecular weight of 264.80 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 113489698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).