3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile

C14H17N3 — CID 62981268

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
SMILESN#Cc1cccc(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H17N3/c15-9-11-2-1-3-12(8-11)16-13-6-7-17(10-13)14-4-5-14/h1-3,8,13-14,16H,4-7,10H2
InChIKeyHFXHNOYPEICOON-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.21
Rot. Bonds3

About 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile

3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile (PubChem CID 62981268) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
PubChem CID62981268
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
SMILESN#Cc1cccc(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H17N3/c15-9-11-2-1-3-12(8-11)16-13-6-7-17(10-13)14-4-5-14/h1-3,8,13-14,16H,4-7,10H2
InChIKeyHFXHNOYPEICOON-UHFFFAOYSA-N
XLogP2.21
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
CID 55153801
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
4-[3-[(1-cyclopropylpyrrolidin-3-yl)amino]phenoxy]butanenitrile
CID 62980984
3-(cyclododecylamino)benzonitrile
CID 63422717
3-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 124512100
1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 62981651
1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-amine
CID 62982651
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
CID 63676263
3-[(3-methoxycyclobutyl)amino]benzonitrile
CID 104869053
6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 62981470
3-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447814

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile (CID 62981268) is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile is N#Cc1cccc(NC2CCN(C3CC3)C2)c1.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile?
The InChIKey is HFXHNOYPEICOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-11-2-1-3-12(8-11)16-13-6-7-17(10-13)14-4-5-14/h1-3,8,13-14,16H,4-7,10H2.
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile?
3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile has a molecular weight of 227.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 62981268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).