4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile

C15H18N4 — CID 107788363

IUPAC4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
SMILESCC(CC1CCCN1)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H18N4/c1-11(7-14-3-2-6-18-14)19-15-5-4-12(9-16)13(8-15)10-17/h4-5,8,11,14,18-19H,2-3,6-7H2,1H3
InChIKeyCIJKPEYYGOPLLJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.37
Rot. Bonds4

About 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile

4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile (PubChem CID 107788363) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
PubChem CID107788363
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
SMILESCC(CC1CCCN1)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H18N4/c1-11(7-14-3-2-6-18-14)19-15-5-4-12(9-16)13(8-15)10-17/h4-5,8,11,14,18-19H,2-3,6-7H2,1H3
InChIKeyCIJKPEYYGOPLLJ-UHFFFAOYSA-N
XLogP2.37
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 79541140
4-(1-cyclobutylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788366
5-bromo-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 82707999
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine
CID 79540408
3-methoxy-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 107466869
N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79540902
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 79540658
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
3-methylsulfanyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541794

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile (CID 107788363) is 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile is CC(CC1CCCN1)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
The InChIKey is CIJKPEYYGOPLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(7-14-3-2-6-18-14)19-15-5-4-12(9-16)13(8-15)10-17/h4-5,8,11,14,18-19H,2-3,6-7H2,1H3.
What are the key properties of 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile?
4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107788363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).