2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide

C13H22N4O — CID 81303220

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C13H22N4O/c1-16(2)7-8-17(3)12-9-10(18-4)5-6-11(12)13(14)15/h5-6,9H,7-8H2,1-4H3,(H3,14,15)
InChIKeyBPTBQVKBLXBHCP-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide

2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide (PubChem CID 81303220) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
PubChem CID81303220
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C13H22N4O/c1-16(2)7-8-17(3)12-9-10(18-4)5-6-11(12)13(14)15/h5-6,9H,7-8H2,1-4H3,(H3,14,15)
InChIKeyBPTBQVKBLXBHCP-UHFFFAOYSA-N
XLogP0.98
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306245
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide (CID 81303220) is 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(C)CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide?
The InChIKey is BPTBQVKBLXBHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)7-8-17(3)12-9-10(18-4)5-6-11(12)13(14)15/h5-6,9H,7-8H2,1-4H3,(H3,14,15).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide?
2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide has a molecular weight of 250.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).