2-amino-5-[cyclopentyl(methyl)amino]benzamide

C13H19N3O — CID 61307306

IUPAC2-amino-5-[cyclopentyl(methyl)amino]benzamide
SMILESCN(c1ccc(N)c(C(N)=O)c1)C1CCCC1
InChIInChI=1S/C13H19N3O/c1-16(9-4-2-3-5-9)10-6-7-12(14)11(8-10)13(15)17/h6-9H,2-5,14H2,1H3,(H2,15,17)
InChIKeyDEQHJYFRINYOFM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds3

About 2-amino-5-[cyclopentyl(methyl)amino]benzamide

2-amino-5-[cyclopentyl(methyl)amino]benzamide (PubChem CID 61307306) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-5-[cyclopentyl(methyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[cyclopentyl(methyl)amino]benzamide
PubChem CID61307306
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-5-[cyclopentyl(methyl)amino]benzamide
SMILESCN(c1ccc(N)c(C(N)=O)c1)C1CCCC1
InChIInChI=1S/C13H19N3O/c1-16(9-4-2-3-5-9)10-6-7-12(14)11(8-10)13(15)17/h6-9H,2-5,14H2,1H3,(H2,15,17)
InChIKeyDEQHJYFRINYOFM-UHFFFAOYSA-N
XLogP1.75
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
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-5-[cycloheptyl(methyl)amino]benzamide
CID 61305211
2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
CID 82749581
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
2-amino-5-[methyl(pentan-3-yl)amino]benzamide
CID 55134579
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
CID 82749051
3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
5-amino-6-[cyclopentyl(methyl)amino]pyridine-2-carboxamide
CID 114405392
4-[cycloheptyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81277092
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[cyclopentyl(methyl)amino]benzamide?
The IUPAC name of 2-amino-5-[cyclopentyl(methyl)amino]benzamide (CID 61307306) is 2-amino-5-[cyclopentyl(methyl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[cyclopentyl(methyl)amino]benzamide?
The canonical SMILES for 2-amino-5-[cyclopentyl(methyl)amino]benzamide is CN(c1ccc(N)c(C(N)=O)c1)C1CCCC1.
What is the InChIKey of 2-amino-5-[cyclopentyl(methyl)amino]benzamide?
The InChIKey is DEQHJYFRINYOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(9-4-2-3-5-9)10-6-7-12(14)11(8-10)13(15)17/h6-9H,2-5,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-5-[cyclopentyl(methyl)amino]benzamide?
2-amino-5-[cyclopentyl(methyl)amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[cyclopentyl(methyl)amino]benzamide is sourced from PubChem (CID 61307306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).