2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile

C14H20N2 — CID 115130612

IUPAC2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile
SMILESCc1ccc(C(C)(C)CNC(C)C#N)cc1
InChIInChI=1S/C14H20N2/c1-11-5-7-13(8-6-11)14(3,4)10-16-12(2)9-15/h5-8,12,16H,10H2,1-4H3
InChIKeyMVQKMCOSSWYSIS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.77
Rot. Bonds4

About 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile

2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile (PubChem CID 115130612) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile
PubChem CID115130612
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile
SMILESCc1ccc(C(C)(C)CNC(C)C#N)cc1
InChIInChI=1S/C14H20N2/c1-11-5-7-13(8-6-11)14(3,4)10-16-12(2)9-15/h5-8,12,16H,10H2,1-4H3
InChIKeyMVQKMCOSSWYSIS-UHFFFAOYSA-N
XLogP2.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130700
2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130626
N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115716554
4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanenitrile
CID 115232104
2-[[2-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propyl]amino]propanenitrile
CID 115130684
N-tert-butyl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 62595544
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
4-[2,5-dimethyl-5-(4-methylphenyl)hexan-2-yl]benzonitrile
CID 167273285
2-[[2-(2-chloro-4-methoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130668
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
2-[(2-methoxy-2-methylpropyl)amino]propanenitrile
CID 104760516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile?
The IUPAC name of 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile (CID 115130612) is 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile.
What is the SMILES notation for 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile?
The canonical SMILES for 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile is Cc1ccc(C(C)(C)CNC(C)C#N)cc1.
What is the InChIKey of 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile?
The InChIKey is MVQKMCOSSWYSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-5-7-13(8-6-11)14(3,4)10-16-12(2)9-15/h5-8,12,16H,10H2,1-4H3.
What are the key properties of 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile?
2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile has a molecular weight of 216.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile is sourced from PubChem (CID 115130612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).