2-(cyclobutylamino)-3-methylbenzonitrile

C12H14N2 — CID 107106808

IUPAC2-(cyclobutylamino)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1NC1CCC1
InChIInChI=1S/C12H14N2/c1-9-4-2-5-10(8-13)12(9)14-11-6-3-7-11/h2,4-5,11,14H,3,6-7H2,1H3
InChIKeyWQABUMGSHATIMV-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.83
Rot. Bonds2

About 2-(cyclobutylamino)-3-methylbenzonitrile

2-(cyclobutylamino)-3-methylbenzonitrile (PubChem CID 107106808) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(cyclobutylamino)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(cyclobutylamino)-3-methylbenzonitrile
PubChem CID107106808
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(cyclobutylamino)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1NC1CCC1
InChIInChI=1S/C12H14N2/c1-9-4-2-5-10(8-13)12(9)14-11-6-3-7-11/h2,4-5,11,14H,3,6-7H2,1H3
InChIKeyWQABUMGSHATIMV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(piperidin-3-ylamino)benzonitrile
CID 107111395
3-methyl-2-[(3-methylcyclobutyl)amino]benzonitrile
CID 107107233
2-[(1,1-dioxothian-4-yl)amino]-3-methylbenzonitrile
CID 107106517
3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
CID 107106887
2-(cyclopentylamino)-3-nitrobenzonitrile
CID 175743449
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methylbenzonitrile
CID 107106362
2-[(2-amino-1-cyclohexylethyl)amino]-3-methylbenzonitrile
CID 107111485
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbenzonitrile
CID 107111498
3-methyl-2-(1-piperidin-3-ylethylamino)benzonitrile
CID 107111358
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
2-[(3-ethylcyclohexyl)amino]-3-methoxybenzonitrile
CID 107466643
3-methyl-2-[2-(3-methylcyclohexyl)ethylamino]benzonitrile
CID 107106941

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-3-methylbenzonitrile?
The IUPAC name of 2-(cyclobutylamino)-3-methylbenzonitrile (CID 107106808) is 2-(cyclobutylamino)-3-methylbenzonitrile.
What is the SMILES notation for 2-(cyclobutylamino)-3-methylbenzonitrile?
The canonical SMILES for 2-(cyclobutylamino)-3-methylbenzonitrile is Cc1cccc(C#N)c1NC1CCC1.
What is the InChIKey of 2-(cyclobutylamino)-3-methylbenzonitrile?
The InChIKey is WQABUMGSHATIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-2-5-10(8-13)12(9)14-11-6-3-7-11/h2,4-5,11,14H,3,6-7H2,1H3.
What are the key properties of 2-(cyclobutylamino)-3-methylbenzonitrile?
2-(cyclobutylamino)-3-methylbenzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-3-methylbenzonitrile is sourced from PubChem (CID 107106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).