4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile

C15H22N2 — CID 81279555

IUPAC4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile
SMILESCCC(CC)C(C)Nc1ccc(C#N)c(C)c1
InChIInChI=1S/C15H22N2/c1-5-13(6-2)12(4)17-15-8-7-14(10-16)11(3)9-15/h7-9,12-13,17H,5-6H2,1-4H3
InChIKeyAJTYQRAXCNEFDQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.10
Rot. Bonds5

About 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile

4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile (PubChem CID 81279555) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile
PubChem CID81279555
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile
SMILESCCC(CC)C(C)Nc1ccc(C#N)c(C)c1
InChIInChI=1S/C15H22N2/c1-5-13(6-2)12(4)17-15-8-7-14(10-16)11(3)9-15/h7-9,12-13,17H,5-6H2,1-4H3
InChIKeyAJTYQRAXCNEFDQ-UHFFFAOYSA-N
XLogP4.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylbenzonitrile
CID 81279647
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
4-(5-hydroxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279649
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile
CID 81273134
4-(1-methoxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279557
2-(4-cyano-3-methylanilino)-3-methylbutanoic acid
CID 81274147
4-(2-chlorohydrazinyl)-2-methylbenzonitrile
CID 22118357
4-(3-ethylpentan-2-ylamino)-2,3-difluorobenzonitrile
CID 107933841
2-methyl-4-(2-methylbutan-2-ylamino)benzonitrile
CID 81277441
4-hydrazinyl-2-methylbenzonitrile;hydrochloride
CID 46915033
4-(butan-2-ylamino)-2-fluorobenzonitrile
CID 115366955
2-methyl-4-(2-propan-2-yloxyethylamino)benzonitrile
CID 104761629

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile?
The IUPAC name of 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile (CID 81279555) is 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile.
What is the SMILES notation for 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile?
The canonical SMILES for 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile is CCC(CC)C(C)Nc1ccc(C#N)c(C)c1.
What is the InChIKey of 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile?
The InChIKey is AJTYQRAXCNEFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-13(6-2)12(4)17-15-8-7-14(10-16)11(3)9-15/h7-9,12-13,17H,5-6H2,1-4H3.
What are the key properties of 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile?
4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile has a molecular weight of 230.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile is sourced from PubChem (CID 81279555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).