5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide

C13H21ClN4 — CID 55227730

IUPAC5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCCN(C)C
InChIInChI=1S/C13H21ClN4/c1-17(2)7-4-8-18(3)12-6-5-10(14)9-11(12)13(15)16/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16)
InChIKeyMATSTLOSIQRRDS-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.01
Rot. Bonds6

About 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide

5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide (PubChem CID 55227730) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
PubChem CID55227730
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCCN(C)C
InChIInChI=1S/C13H21ClN4/c1-17(2)7-4-8-18(3)12-6-5-10(14)9-11(12)13(15)16/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16)
InChIKeyMATSTLOSIQRRDS-UHFFFAOYSA-N
XLogP2.01
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
CID 79850182
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide (CID 55227730) is 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)CCCN(C)C.
What is the InChIKey of 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The InChIKey is MATSTLOSIQRRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-17(2)7-4-8-18(3)12-6-5-10(14)9-11(12)13(15)16/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16).
What are the key properties of 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide has a molecular weight of 268.79 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 55227730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).