5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile

C16H24N2 — CID 107927181

IUPAC5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile
SMILESCc1ccc(NC(C)CCCC(C)C)c(C#N)c1
InChIInChI=1S/C16H24N2/c1-12(2)6-5-7-14(4)18-16-9-8-13(3)10-15(16)11-17/h8-10,12,14,18H,5-7H2,1-4H3
InChIKeySYHGBTSKBYPNNY-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.49
Rot. Bonds6

About 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile

5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile (PubChem CID 107927181) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile
PubChem CID107927181
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile
SMILESCc1ccc(NC(C)CCCC(C)C)c(C#N)c1
InChIInChI=1S/C16H24N2/c1-12(2)6-5-7-14(4)18-16-9-8-13(3)10-15(16)11-17/h8-10,12,14,18H,5-7H2,1-4H3
InChIKeySYHGBTSKBYPNNY-UHFFFAOYSA-N
XLogP4.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(5-methylhexylamino)benzonitrile
CID 107927694
5-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]benzonitrile
CID 107931272
5-methyl-2-(pentan-3-ylamino)benzonitrile
CID 107926818
2-(hexan-3-ylamino)-5-methylbenzonitrile
CID 107927370
5-bromo-2-[[(2S)-5-hydroxypentan-2-yl]amino]benzonitrile
CID 97350205
5-methyl-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 107927024
2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
CID 55135953
2-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 107931244
2-[1-(4-bromophenyl)ethylamino]-5-methylbenzonitrile
CID 107927205
2-(heptan-2-ylamino)benzonitrile
CID 43100327
3-(6-methylheptan-2-ylamino)benzonitrile
CID 102815676
5-(6-methylheptan-2-ylamino)-2-nitrobenzonitrile
CID 115500230

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile?
The IUPAC name of 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile (CID 107927181) is 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile.
What is the SMILES notation for 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile?
The canonical SMILES for 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile is Cc1ccc(NC(C)CCCC(C)C)c(C#N)c1.
What is the InChIKey of 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile?
The InChIKey is SYHGBTSKBYPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)6-5-7-14(4)18-16-9-8-13(3)10-15(16)11-17/h8-10,12,14,18H,5-7H2,1-4H3.
What are the key properties of 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile?
5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile has a molecular weight of 244.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methylheptan-2-ylamino)benzonitrile is sourced from PubChem (CID 107927181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).