2-amino-5-(azepan-1-yl)benzamide

C13H19N3O — CID 61313055

IUPAC2-amino-5-(azepan-1-yl)benzamide
SMILESNC(=O)c1cc(N2CCCCCC2)ccc1N
InChIInChI=1S/C13H19N3O/c14-12-6-5-10(9-11(12)13(15)17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,14H2,(H2,15,17)
InChIKeyYTXNKWWNJGXTMP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-5-(azepan-1-yl)benzamide

2-amino-5-(azepan-1-yl)benzamide (PubChem CID 61313055) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-5-(azepan-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(azepan-1-yl)benzamide
PubChem CID61313055
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-5-(azepan-1-yl)benzamide
SMILESNC(=O)c1cc(N2CCCCCC2)ccc1N
InChIInChI=1S/C13H19N3O/c14-12-6-5-10(9-11(12)13(15)17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,14H2,(H2,15,17)
InChIKeyYTXNKWWNJGXTMP-UHFFFAOYSA-N
XLogP1.75
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-(4-cyclopropylpiperidin-1-yl)benzamide
CID 153382110
2-amino-1-(2-amino-5-pyrrolidin-1-ylphenyl)ethanone
CID 170861013
2-amino-5-piperidin-1-ylbenzenecarbothiohydrazide
CID 122525160
2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide
CID 61305728
(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 23610433
(2-amino-5-piperidin-1-ylphenyl) carbamate
CID 175107647
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobenzamide
CID 82751006
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
5-(azepan-1-yl)-2-fluorobenzoic acid
CID 79694518

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(azepan-1-yl)benzamide?
The IUPAC name of 2-amino-5-(azepan-1-yl)benzamide (CID 61313055) is 2-amino-5-(azepan-1-yl)benzamide.
What is the SMILES notation for 2-amino-5-(azepan-1-yl)benzamide?
The canonical SMILES for 2-amino-5-(azepan-1-yl)benzamide is NC(=O)c1cc(N2CCCCCC2)ccc1N.
What is the InChIKey of 2-amino-5-(azepan-1-yl)benzamide?
The InChIKey is YTXNKWWNJGXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-6-5-10(9-11(12)13(15)17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,14H2,(H2,15,17).
What are the key properties of 2-amino-5-(azepan-1-yl)benzamide?
2-amino-5-(azepan-1-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(azepan-1-yl)benzamide is sourced from PubChem (CID 61313055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).