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

C13H22N4 — CID 63694371

IUPAC2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)CCCN(C)C
InChIInChI=1S/C13H22N4/c1-16(2)9-6-10-17(3)12-8-5-4-7-11(12)13(14)15/h4-5,7-8H,6,9-10H2,1-3H3,(H3,14,15)
InChIKeyULYWIATYTJLQMR-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds6

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

2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide (PubChem CID 63694371) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
PubChem CID63694371
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)CCCN(C)C
InChIInChI=1S/C13H22N4/c1-16(2)9-6-10-17(3)12-8-5-4-7-11(12)13(14)15/h4-5,7-8H,6,9-10H2,1-3H3,(H3,14,15)
InChIKeyULYWIATYTJLQMR-UHFFFAOYSA-N
XLogP1.36
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.36
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

2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
2-(dipropylamino)benzenecarboximidamide
CID 28601050
4-[2-hydroxyethyl(methyl)amino]naphthalene-1-carboximidamide
CID 114088595
2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide (CID 63694371) is 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)CCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The InChIKey is ULYWIATYTJLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)9-6-10-17(3)12-8-5-4-7-11(12)13(14)15/h4-5,7-8H,6,9-10H2,1-3H3,(H3,14,15).
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide has a molecular weight of 234.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 63694371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).