3,4-dimethylbenzenecarboximidamide;ethanamine

C11H19N3 — CID 142030148

IUPAC3,4-dimethylbenzenecarboximidamide;ethanamine
SMILESCCN.[H]/N=C(\N)c1ccc(C)c(C)c1
InChIInChI=1S/C9H12N2.C2H7N/c1-6-3-4-8(9(10)11)5-7(6)2;1-2-3/h3-5H,1-2H3,(H3,10,11);2-3H2,1H3
InChIKeyQVMWTDYDMPHCHM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.55
Rot. Bonds1

About 3,4-dimethylbenzenecarboximidamide;ethanamine

3,4-dimethylbenzenecarboximidamide;ethanamine (PubChem CID 142030148) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,4-dimethylbenzenecarboximidamide;ethanamine.

Molecular Properties

Compound Name3,4-dimethylbenzenecarboximidamide;ethanamine
PubChem CID142030148
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3,4-dimethylbenzenecarboximidamide;ethanamine
SMILESCCN.[H]/N=C(\N)c1ccc(C)c(C)c1
InChIInChI=1S/C9H12N2.C2H7N/c1-6-3-4-8(9(10)11)5-7(6)2;1-2-3/h3-5H,1-2H3,(H3,10,11);2-3H2,1H3
InChIKeyQVMWTDYDMPHCHM-UHFFFAOYSA-N
XLogP1.55
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
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

3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 60929232
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 54933264
3-methyl-4-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114484167
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
4-(tert-butylsulfanylmethyl)-3-methylbenzenecarboximidamide
CID 114484149
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylbenzenecarboximidamide;ethanamine?
The IUPAC name of 3,4-dimethylbenzenecarboximidamide;ethanamine (CID 142030148) is 3,4-dimethylbenzenecarboximidamide;ethanamine.
What is the SMILES notation for 3,4-dimethylbenzenecarboximidamide;ethanamine?
The canonical SMILES for 3,4-dimethylbenzenecarboximidamide;ethanamine is CCN.[H]/N=C(\N)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethylbenzenecarboximidamide;ethanamine?
The InChIKey is QVMWTDYDMPHCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H7N/c1-6-3-4-8(9(10)11)5-7(6)2;1-2-3/h3-5H,1-2H3,(H3,10,11);2-3H2,1H3.
What are the key properties of 3,4-dimethylbenzenecarboximidamide;ethanamine?
3,4-dimethylbenzenecarboximidamide;ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylbenzenecarboximidamide;ethanamine is sourced from PubChem (CID 142030148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).