5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide

C11H16ClN3 — CID 62493754

IUPAC5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCC
InChIInChI=1S/C11H16ClN3/c1-3-6-15(2)10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,3,6H2,1-2H3,(H3,13,14)
InChIKeyIYBVJBCXFAEHMZ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.47
Rot. Bonds4

About 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide

5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide (PubChem CID 62493754) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
PubChem CID62493754
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCC
InChIInChI=1S/C11H16ClN3/c1-3-6-15(2)10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,3,6H2,1-2H3,(H3,13,14)
InChIKeyIYBVJBCXFAEHMZ-UHFFFAOYSA-N
XLogP2.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.47
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

5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107930328
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
CID 79850182
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide (CID 62493754) is 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)CCC.
What is the InChIKey of 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide?
The InChIKey is IYBVJBCXFAEHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-6-15(2)10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,3,6H2,1-2H3,(H3,13,14).
What are the key properties of 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide?
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide has a molecular weight of 225.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62493754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).