4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile

C15H22N2 — CID 63477258

IUPAC4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
SMILESCc1ccc(C#N)cc1NC(C)CCC(C)C
InChIInChI=1S/C15H22N2/c1-11(2)5-7-13(4)17-15-9-14(10-16)8-6-12(15)3/h6,8-9,11,13,17H,5,7H2,1-4H3
InChIKeyIGIXTALYQPDWKB-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.10
Rot. Bonds5

About 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile

4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile (PubChem CID 63477258) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
PubChem CID63477258
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
SMILESCc1ccc(C#N)cc1NC(C)CCC(C)C
InChIInChI=1S/C15H22N2/c1-11(2)5-7-13(4)17-15-9-14(10-16)8-6-12(15)3/h6,8-9,11,13,17H,5,7H2,1-4H3
InChIKeyIGIXTALYQPDWKB-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

3-(hex-5-en-2-ylamino)-4-methylbenzonitrile
CID 104586742
3-(2,6-dimethylheptan-4-ylamino)-4-methylbenzonitrile
CID 63477609
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
3-chloro-4-(5-methylhexan-2-ylamino)benzonitrile
CID 63926297
4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 63476911
2-methyl-N-(5-methylhexan-2-yl)aniline
CID 43095435
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
4-(1-aminopropan-2-ylamino)-3-methylbenzonitrile
CID 63733387
3-[1-(2,6-dihydroxyphenyl)ethylamino]-4-methylbenzonitrile
CID 107710910
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
4-methyl-3-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 62105765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile?
The IUPAC name of 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile (CID 63477258) is 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile.
What is the SMILES notation for 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile?
The canonical SMILES for 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile is Cc1ccc(C#N)cc1NC(C)CCC(C)C.
What is the InChIKey of 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile?
The InChIKey is IGIXTALYQPDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)5-7-13(4)17-15-9-14(10-16)8-6-12(15)3/h6,8-9,11,13,17H,5,7H2,1-4H3.
What are the key properties of 4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile?
4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile 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-methyl-3-(5-methylhexan-2-ylamino)benzonitrile is sourced from PubChem (CID 63477258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).