2-amino-3-(cyclobutylmethylamino)benzonitrile

C12H15N3 — CID 104716296

IUPAC2-amino-3-(cyclobutylmethylamino)benzonitrile
SMILESN#Cc1cccc(NCC2CCC2)c1N
InChIInChI=1S/C12H15N3/c13-7-10-5-2-6-11(12(10)14)15-8-9-3-1-4-9/h2,5-6,9,15H,1,3-4,8,14H2
InChIKeyAPGWFJYGATWEDB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.35
Rot. Bonds3

About 2-amino-3-(cyclobutylmethylamino)benzonitrile

2-amino-3-(cyclobutylmethylamino)benzonitrile (PubChem CID 104716296) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-3-(cyclobutylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(cyclobutylmethylamino)benzonitrile
PubChem CID104716296
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-amino-3-(cyclobutylmethylamino)benzonitrile
SMILESN#Cc1cccc(NCC2CCC2)c1N
InChIInChI=1S/C12H15N3/c13-7-10-5-2-6-11(12(10)14)15-8-9-3-1-4-9/h2,5-6,9,15H,1,3-4,8,14H2
InChIKeyAPGWFJYGATWEDB-UHFFFAOYSA-N
XLogP2.35
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.35
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

2-amino-3-(2-cyclopentylethylamino)benzonitrile
CID 104716387
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 104716575
2-amino-3-[(1,4-dimethylpiperazin-2-yl)methylamino]benzonitrile
CID 104716781
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
5-amino-2-(cyclopentylmethylamino)benzonitrile
CID 61296175
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
2-amino-3-[(1-hydroxycyclopentyl)methylamino]benzonitrile
CID 104716841
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
2-amino-3-(2-pyrrolidin-1-ylethylamino)benzonitrile
CID 104716677
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclobutylmethylamino)benzonitrile?
The IUPAC name of 2-amino-3-(cyclobutylmethylamino)benzonitrile (CID 104716296) is 2-amino-3-(cyclobutylmethylamino)benzonitrile.
What is the SMILES notation for 2-amino-3-(cyclobutylmethylamino)benzonitrile?
The canonical SMILES for 2-amino-3-(cyclobutylmethylamino)benzonitrile is N#Cc1cccc(NCC2CCC2)c1N.
What is the InChIKey of 2-amino-3-(cyclobutylmethylamino)benzonitrile?
The InChIKey is APGWFJYGATWEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-7-10-5-2-6-11(12(10)14)15-8-9-3-1-4-9/h2,5-6,9,15H,1,3-4,8,14H2.
What are the key properties of 2-amino-3-(cyclobutylmethylamino)benzonitrile?
2-amino-3-(cyclobutylmethylamino)benzonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclobutylmethylamino)benzonitrile is sourced from PubChem (CID 104716296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).