3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride

C14H23Cl2N3O — CID 119875581

IUPAC3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
SMILESCC(CNC(=O)c1cccc(N)c1)N(C)C1CC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10(17(2)13-6-7-13)9-16-14(18)11-4-3-5-12(15)8-11;;/h3-5,8,10,13H,6-7,9,15H2,1-2H3,(H,16,18);2*1H
InChIKeyIFVYTTYHUVDNQZ-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride

3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride (PubChem CID 119875581) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
PubChem CID119875581
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
SMILESCC(CNC(=O)c1cccc(N)c1)N(C)C1CC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10(17(2)13-6-7-13)9-16-14(18)11-4-3-5-12(15)8-11;;/h3-5,8,10,13H,6-7,9,15H2,1-2H3,(H,16,18);2*1H
InChIKeyIFVYTTYHUVDNQZ-UHFFFAOYSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.32
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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride (CID 119875581) is 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride is CC(CNC(=O)c1cccc(N)c1)N(C)C1CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride?
The InChIKey is IFVYTTYHUVDNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-10(17(2)13-6-7-13)9-16-14(18)11-4-3-5-12(15)8-11;;/h3-5,8,10,13H,6-7,9,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride?
3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride is sourced from PubChem (CID 119875581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).