2-(diethylamino)-3-methylbenzenecarboximidamide

C12H19N3 — CID 107109942

IUPAC2-(diethylamino)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC)CC
InChIInChI=1S/C12H19N3/c1-4-15(5-2)11-9(3)7-6-8-10(11)12(13)14/h6-8H,4-5H2,1-3H3,(H3,13,14)
InChIKeyGFOUROHMBLZJEF-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.13
Rot. Bonds4

About 2-(diethylamino)-3-methylbenzenecarboximidamide

2-(diethylamino)-3-methylbenzenecarboximidamide (PubChem CID 107109942) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-(diethylamino)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(diethylamino)-3-methylbenzenecarboximidamide
PubChem CID107109942
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-(diethylamino)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC)CC
InChIInChI=1S/C12H19N3/c1-4-15(5-2)11-9(3)7-6-8-10(11)12(13)14/h6-8H,4-5H2,1-3H3,(H3,13,14)
InChIKeyGFOUROHMBLZJEF-UHFFFAOYSA-N
XLogP2.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.13
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

2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110111
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089
3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 107110371
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(diethylamino)-3-methylbenzenecarboximidamide (CID 107109942) is 2-(diethylamino)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(diethylamino)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(diethylamino)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(CC)CC.
What is the InChIKey of 2-(diethylamino)-3-methylbenzenecarboximidamide?
The InChIKey is GFOUROHMBLZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-15(5-2)11-9(3)7-6-8-10(11)12(13)14/h6-8H,4-5H2,1-3H3,(H3,13,14).
What are the key properties of 2-(diethylamino)-3-methylbenzenecarboximidamide?
2-(diethylamino)-3-methylbenzenecarboximidamide has a molecular weight of 205.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).