4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile

C15H17N3 — CID 107788366

IUPAC4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile
SMILESCC(CC1CCC1)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H17N3/c1-11(7-12-3-2-4-12)18-15-6-5-13(9-16)14(8-15)10-17/h5-6,8,11-12,18H,2-4,7H2,1H3
InChIKeyIEMVTARLOWQLEF-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.42
Rot. Bonds4

About 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile

4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile (PubChem CID 107788366) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile
PubChem CID107788366
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile
SMILESCC(CC1CCC1)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H17N3/c1-11(7-12-3-2-4-12)18-15-6-5-13(9-16)14(8-15)10-17/h5-6,8,11-12,18H,2-4,7H2,1H3
InChIKeyIEMVTARLOWQLEF-UHFFFAOYSA-N
XLogP3.42
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788363
4-(1-cyclopropylethylamino)benzene-1,2-dicarbonitrile
CID 104819789
4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
CID 107788205
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzene-1,2-dicarbonitrile
CID 107788377
N-(1-cyclobutylpropan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 113489689
5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
CID 107700272
2-chloro-5-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 79541140
4-[(3-ethylcyclohexyl)amino]benzene-1,2-dicarbonitrile
CID 107788181
4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzene-1,2-dicarbonitrile
CID 107788231
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile (CID 107788366) is 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile is CC(CC1CCC1)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
The InChIKey is IEMVTARLOWQLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11(7-12-3-2-4-12)18-15-6-5-13(9-16)14(8-15)10-17/h5-6,8,11-12,18H,2-4,7H2,1H3.
What are the key properties of 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107788366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).