3-[[amino(cyclopentyl)methylidene]amino]benzamide

C13H17N3O — CID 107811862

IUPAC3-[[amino(cyclopentyl)methylidene]amino]benzamide
SMILESNC(=O)c1cccc(/N=C(\N)C2CCCC2)c1
InChIInChI=1S/C13H17N3O/c14-12(9-4-1-2-5-9)16-11-7-3-6-10(8-11)13(15)17/h3,6-9H,1-2,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyFEKNJXCVTSOBPU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds3

About 3-[[amino(cyclopentyl)methylidene]amino]benzamide

3-[[amino(cyclopentyl)methylidene]amino]benzamide (PubChem CID 107811862) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[[amino(cyclopentyl)methylidene]amino]benzamide.

Molecular Properties

Compound Name3-[[amino(cyclopentyl)methylidene]amino]benzamide
PubChem CID107811862
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[[amino(cyclopentyl)methylidene]amino]benzamide
SMILESNC(=O)c1cccc(/N=C(\N)C2CCCC2)c1
InChIInChI=1S/C13H17N3O/c14-12(9-4-1-2-5-9)16-11-7-3-6-10(8-11)13(15)17/h3,6-9H,1-2,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyFEKNJXCVTSOBPU-UHFFFAOYSA-N
XLogP1.96
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide
CID 63178909
N'-naphthalen-2-ylcyclohexanecarboximidamide
CID 55158430
N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
CID 63178907
3-[(1-amino-2-methylpropylidene)amino]benzamide
CID 107811864
N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide
CID 56933746
N'-(3,5-difluorophenyl)cyclopentanecarboximidamide
CID 63178820
3-cyclopentyloxybenzamide
CID 71932153
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
N'-naphthalen-2-ylcyclopropanecarboximidamide
CID 63176582
3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
N'-(2,6-diethylphenyl)cyclohexanecarboximidamide
CID 63174092

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(cyclopentyl)methylidene]amino]benzamide?
The IUPAC name of 3-[[amino(cyclopentyl)methylidene]amino]benzamide (CID 107811862) is 3-[[amino(cyclopentyl)methylidene]amino]benzamide.
What is the SMILES notation for 3-[[amino(cyclopentyl)methylidene]amino]benzamide?
The canonical SMILES for 3-[[amino(cyclopentyl)methylidene]amino]benzamide is NC(=O)c1cccc(/N=C(\N)C2CCCC2)c1.
What is the InChIKey of 3-[[amino(cyclopentyl)methylidene]amino]benzamide?
The InChIKey is FEKNJXCVTSOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-12(9-4-1-2-5-9)16-11-7-3-6-10(8-11)13(15)17/h3,6-9H,1-2,4-5H2,(H2,14,16)(H2,15,17).
What are the key properties of 3-[[amino(cyclopentyl)methylidene]amino]benzamide?
3-[[amino(cyclopentyl)methylidene]amino]benzamide has a molecular weight of 231.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(cyclopentyl)methylidene]amino]benzamide is sourced from PubChem (CID 107811862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).