4,4-dimethyl-5-(3-methylanilino)pentanenitrile

C14H20N2 — CID 115671109

IUPAC4,4-dimethyl-5-(3-methylanilino)pentanenitrile
SMILESCc1cccc(NCC(C)(C)CCC#N)c1
InChIInChI=1S/C14H20N2/c1-12-6-4-7-13(10-12)16-11-14(2,3)8-5-9-15/h4,6-7,10,16H,5,8,11H2,1-3H3
InChIKeyWFGYDFKJBQIVBL-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.74
Rot. Bonds5

About 4,4-dimethyl-5-(3-methylanilino)pentanenitrile

4,4-dimethyl-5-(3-methylanilino)pentanenitrile (PubChem CID 115671109) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3-methylanilino)pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-(3-methylanilino)pentanenitrile
PubChem CID115671109
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4,4-dimethyl-5-(3-methylanilino)pentanenitrile
SMILESCc1cccc(NCC(C)(C)CCC#N)c1
InChIInChI=1S/C14H20N2/c1-12-6-4-7-13(10-12)16-11-14(2,3)8-5-9-15/h4,6-7,10,16H,5,8,11H2,1-3H3
InChIKeyWFGYDFKJBQIVBL-UHFFFAOYSA-N
XLogP3.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(4-cyano-2,2-dimethylbutyl)amino]benzoate
CID 115884782
3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide
CID 115743562
4,4-dimethyl-5-[3-(1,3-oxazol-5-yl)anilino]pentanenitrile
CID 115743893
4,4-dimethyl-5-[2-(3-methylphenoxy)ethylamino]pentanenitrile
CID 115651546
5-(2,3-dimethylanilino)-4,4-dimethylpentanenitrile
CID 113346785
4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile
CID 115743208
4,4-dimethyl-5-[4-(trifluoromethyl)anilino]pentanenitrile
CID 115749443
N-[4-[(4-cyano-2,2-dimethylbutyl)amino]phenyl]methanesulfonamide
CID 115743549
N,N-bis(2-cyanoethyl)-2-(3-methylanilino)acetamide
CID 78821946
5-[1-(3-bromophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489727
N-(ethylselanylmethyl)-3-methylaniline
CID 10633082
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(3-methylanilino)pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-(3-methylanilino)pentanenitrile (CID 115671109) is 4,4-dimethyl-5-(3-methylanilino)pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-(3-methylanilino)pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-(3-methylanilino)pentanenitrile is Cc1cccc(NCC(C)(C)CCC#N)c1.
What is the InChIKey of 4,4-dimethyl-5-(3-methylanilino)pentanenitrile?
The InChIKey is WFGYDFKJBQIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12-6-4-7-13(10-12)16-11-14(2,3)8-5-9-15/h4,6-7,10,16H,5,8,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(3-methylanilino)pentanenitrile?
4,4-dimethyl-5-(3-methylanilino)pentanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(3-methylanilino)pentanenitrile is sourced from PubChem (CID 115671109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).