2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile

C16H24N2 — CID 115129774

IUPAC2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
SMILESCCc1ccc(C(C)(C)CNC(C)(C)C#N)cc1
InChIInChI=1S/C16H24N2/c1-6-13-7-9-14(10-8-13)15(2,3)12-18-16(4,5)11-17/h7-10,18H,6,12H2,1-5H3
InChIKeyDCSRNLFNZJISLD-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.42
Rot. Bonds5

About 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile

2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile (PubChem CID 115129774) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
PubChem CID115129774
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
SMILESCCc1ccc(C(C)(C)CNC(C)(C)C#N)cc1
InChIInChI=1S/C16H24N2/c1-6-13-7-9-14(10-8-13)15(2,3)12-18-16(4,5)11-17/h7-10,18H,6,12H2,1-5H3
InChIKeyDCSRNLFNZJISLD-UHFFFAOYSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234368
2-(4-ethylanilino)-2-methylpropanenitrile
CID 82125457
2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129810
N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
1-tert-butyl-4-ethylbenzene
CID 157359507
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
CID 28702607
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
N-[2-(4-ethylphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119802083
3-(4-ethylphenyl)-3-methylbutan-1-ol
CID 79837245
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118551
N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine
CID 63997117

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile?
The IUPAC name of 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile (CID 115129774) is 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile is CCc1ccc(C(C)(C)CNC(C)(C)C#N)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile?
The InChIKey is DCSRNLFNZJISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-6-13-7-9-14(10-8-13)15(2,3)12-18-16(4,5)11-17/h7-10,18H,6,12H2,1-5H3.
What are the key properties of 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile?
2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 115129774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).