3-amino-4-(cyclopropylamino)benzonitrile

C10H11N3 — CID 43517994

IUPAC3-amino-4-(cyclopropylamino)benzonitrile
SMILESN#Cc1ccc(NC2CC2)c(N)c1
InChIInChI=1S/C10H11N3/c11-6-7-1-4-10(9(12)5-7)13-8-2-3-8/h1,4-5,8,13H,2-3,12H2
InChIKeyDZNLWLXUPNNEPH-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.71
Rot. Bonds2

About 3-amino-4-(cyclopropylamino)benzonitrile

3-amino-4-(cyclopropylamino)benzonitrile (PubChem CID 43517994) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-amino-4-(cyclopropylamino)benzonitrile.

Molecular Properties

Compound Name3-amino-4-(cyclopropylamino)benzonitrile
PubChem CID43517994
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3-amino-4-(cyclopropylamino)benzonitrile
SMILESN#Cc1ccc(NC2CC2)c(N)c1
InChIInChI=1S/C10H11N3/c11-6-7-1-4-10(9(12)5-7)13-8-2-3-8/h1,4-5,8,13H,2-3,12H2
InChIKeyDZNLWLXUPNNEPH-UHFFFAOYSA-N
XLogP1.71
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 18509705
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzonitrile
CID 64740902
3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182837
4-[(4-aminocyclohexyl)amino]-3-chlorobenzonitrile
CID 63092581
3-amino-4-(dicyclopropylmethylamino)benzonitrile
CID 54958712
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
CID 60929293
4-(cyclopropylamino)-3-nitrobenzonitrile
CID 5215354
1-N-cyclopropyl-4-methylbenzene-1,2-diamine
CID 43349417
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
3-chloro-4-[(4-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107807559
3-chloro-4-[(4-methoxycyclohexyl)amino]benzonitrile
CID 107807193
3-amino-4-(1-cyclohexylpropylamino)benzonitrile
CID 62405724

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclopropylamino)benzonitrile?
The IUPAC name of 3-amino-4-(cyclopropylamino)benzonitrile (CID 43517994) is 3-amino-4-(cyclopropylamino)benzonitrile.
What is the SMILES notation for 3-amino-4-(cyclopropylamino)benzonitrile?
The canonical SMILES for 3-amino-4-(cyclopropylamino)benzonitrile is N#Cc1ccc(NC2CC2)c(N)c1.
What is the InChIKey of 3-amino-4-(cyclopropylamino)benzonitrile?
The InChIKey is DZNLWLXUPNNEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-7-1-4-10(9(12)5-7)13-8-2-3-8/h1,4-5,8,13H,2-3,12H2.
What are the key properties of 3-amino-4-(cyclopropylamino)benzonitrile?
3-amino-4-(cyclopropylamino)benzonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclopropylamino)benzonitrile is sourced from PubChem (CID 43517994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).