2-[(2-methylcyclobutyl)amino]benzonitrile

C12H14N2 — CID 130554324

IUPAC2-[(2-methylcyclobutyl)amino]benzonitrile
SMILESCC1CCC1Nc1ccccc1C#N
InChIInChI=1S/C12H14N2/c1-9-6-7-11(9)14-12-5-3-2-4-10(12)8-13/h2-5,9,11,14H,6-7H2,1H3
InChIKeyXMVZPNJXJYXTMB-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.77
Rot. Bonds2

About 2-[(2-methylcyclobutyl)amino]benzonitrile

2-[(2-methylcyclobutyl)amino]benzonitrile (PubChem CID 130554324) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(2-methylcyclobutyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2-methylcyclobutyl)amino]benzonitrile
PubChem CID130554324
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(2-methylcyclobutyl)amino]benzonitrile
SMILESCC1CCC1Nc1ccccc1C#N
InChIInChI=1S/C12H14N2/c1-9-6-7-11(9)14-12-5-3-2-4-10(12)8-13/h2-5,9,11,14H,6-7H2,1H3
InChIKeyXMVZPNJXJYXTMB-UHFFFAOYSA-N
XLogP2.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
2-(2-cyanoanilino)cyclobutane-1-carboxylic acid
CID 103234319
2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 43762433
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43102820
2-(cyclopentylamino)benzonitrile
CID 10535560
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile
CID 64908917
5-amino-2-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 63996057
2-[(2,4-dimethylcyclohexyl)amino]-5-fluorobenzonitrile
CID 63996705
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
CID 107106887
2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43331072
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile
CID 106658043

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclobutyl)amino]benzonitrile?
The IUPAC name of 2-[(2-methylcyclobutyl)amino]benzonitrile (CID 130554324) is 2-[(2-methylcyclobutyl)amino]benzonitrile.
What is the SMILES notation for 2-[(2-methylcyclobutyl)amino]benzonitrile?
The canonical SMILES for 2-[(2-methylcyclobutyl)amino]benzonitrile is CC1CCC1Nc1ccccc1C#N.
What is the InChIKey of 2-[(2-methylcyclobutyl)amino]benzonitrile?
The InChIKey is XMVZPNJXJYXTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-6-7-11(9)14-12-5-3-2-4-10(12)8-13/h2-5,9,11,14H,6-7H2,1H3.
What are the key properties of 2-[(2-methylcyclobutyl)amino]benzonitrile?
2-[(2-methylcyclobutyl)amino]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclobutyl)amino]benzonitrile is sourced from PubChem (CID 130554324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).