2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile

C15H22N2 — CID 115233811

IUPAC2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile
SMILESCc1ccc(C(C)C)cc1NCC(C)(C)C#N
InChIInChI=1S/C15H22N2/c1-11(2)13-7-6-12(3)14(8-13)17-10-15(4,5)9-16/h6-8,11,17H,10H2,1-5H3
InChIKeySYUMDNKQBVVEBF-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.08
Rot. Bonds4

About 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile

2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile (PubChem CID 115233811) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile
PubChem CID115233811
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile
SMILESCc1ccc(C(C)C)cc1NCC(C)(C)C#N
InChIInChI=1S/C15H22N2/c1-11(2)13-7-6-12(3)14(8-13)17-10-15(4,5)9-16/h6-8,11,17H,10H2,1-5H3
InChIKeySYUMDNKQBVVEBF-UHFFFAOYSA-N
XLogP4.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-5-propan-2-ylanilino)methylidene]propanedinitrile
CID 168542165
4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205162
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
CID 115121142
(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
CID 155977870
2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
CID 115250545
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
2-methyl-4-(2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115220542
2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115254803
2-methyl-2-(2-methyl-5-propan-2-ylphenyl)sulfonylpropanenitrile
CID 116855035
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile (CID 115233811) is 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile is Cc1ccc(C(C)C)cc1NCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile?
The InChIKey is SYUMDNKQBVVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)13-7-6-12(3)14(8-13)17-10-15(4,5)9-16/h6-8,11,17H,10H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile?
2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile has a molecular weight of 230.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile is sourced from PubChem (CID 115233811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).