2-(butan-2-ylamino)benzonitrile

C11H14N2 — CID 43178639

IUPAC2-(butan-2-ylamino)benzonitrile
SMILESCCC(C)Nc1ccccc1C#N
InChIInChI=1S/C11H14N2/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-7,9,13H,3H2,1-2H3
InChIKeyMVODVRGDLPTUHA-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.77
Rot. Bonds3

About 2-(butan-2-ylamino)benzonitrile

2-(butan-2-ylamino)benzonitrile (PubChem CID 43178639) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(butan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)benzonitrile
PubChem CID43178639
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(butan-2-ylamino)benzonitrile
SMILESCCC(C)Nc1ccccc1C#N
InChIInChI=1S/C11H14N2/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-7,9,13H,3H2,1-2H3
InChIKeyMVODVRGDLPTUHA-UHFFFAOYSA-N
XLogP2.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(heptan-2-ylamino)benzonitrile
CID 43100327
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-(nonan-2-ylamino)benzonitrile
CID 43129839
4-bromo-2-(butan-2-ylamino)benzonitrile
CID 114901241
2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
CID 60966388
2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
CID 60965677
2-[[2-(butan-2-ylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112883798
2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102867821
2-[[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112909221
2-[1-(4-chlorophenyl)propylamino]benzonitrile
CID 43080476
2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
2-bromo-N-butan-2-ylaniline
CID 43194515

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)benzonitrile?
The IUPAC name of 2-(butan-2-ylamino)benzonitrile (CID 43178639) is 2-(butan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)benzonitrile?
The canonical SMILES for 2-(butan-2-ylamino)benzonitrile is CCC(C)Nc1ccccc1C#N.
What is the InChIKey of 2-(butan-2-ylamino)benzonitrile?
The InChIKey is MVODVRGDLPTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-7,9,13H,3H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)benzonitrile?
2-(butan-2-ylamino)benzonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)benzonitrile is sourced from PubChem (CID 43178639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).