4-amino-N-(2-aminopropyl)benzamide

C10H15N3O — CID 130891998

IUPAC4-amino-N-(2-aminopropyl)benzamide
SMILESCC(N)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15N3O/c1-7(11)6-13-10(14)8-2-4-9(12)5-3-8/h2-5,7H,6,11-12H2,1H3,(H,13,14)
InChIKeyYDZUXPSFIMOOMU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.35
Rot. Bonds3

About 4-amino-N-(2-aminopropyl)benzamide

4-amino-N-(2-aminopropyl)benzamide (PubChem CID 130891998) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-N-(2-aminopropyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-aminopropyl)benzamide
PubChem CID130891998
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-N-(2-aminopropyl)benzamide
SMILESCC(N)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15N3O/c1-7(11)6-13-10(14)8-2-4-9(12)5-3-8/h2-5,7H,6,11-12H2,1H3,(H,13,14)
InChIKeyYDZUXPSFIMOOMU-UHFFFAOYSA-N
XLogP0.35
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methylbutyl)benzamide
CID 22242294
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934
N-(2-aminopropyl)-1-methylpyrrole-3-carboxamide
CID 83617526
4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
4-amino-N-(2-oxoethyl)benzamide
CID 54395026

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminopropyl)benzamide?
The IUPAC name of 4-amino-N-(2-aminopropyl)benzamide (CID 130891998) is 4-amino-N-(2-aminopropyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-aminopropyl)benzamide?
The canonical SMILES for 4-amino-N-(2-aminopropyl)benzamide is CC(N)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-aminopropyl)benzamide?
The InChIKey is YDZUXPSFIMOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(11)6-13-10(14)8-2-4-9(12)5-3-8/h2-5,7H,6,11-12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-(2-aminopropyl)benzamide?
4-amino-N-(2-aminopropyl)benzamide has a molecular weight of 193.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-aminopropyl)benzamide is sourced from PubChem (CID 130891998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).