N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide

C11H15N3 — CID 144603965

IUPACN-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N=C(/C)N)c1cccc(C)c1C
InChIInChI=1S/C11H15N3/c1-7-5-4-6-10(8(7)2)11(13)14-9(3)12/h4-6H,1-3H3,(H3,12,13,14)
InChIKeyTXKRIFHZOVPOPB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.01
Rot. Bonds1

About N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide

N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide (PubChem CID 144603965) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide
PubChem CID144603965
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N=C(/C)N)c1cccc(C)c1C
InChIInChI=1S/C11H15N3/c1-7-5-4-6-10(8(7)2)11(13)14-9(3)12/h4-6H,1-3H3,(H3,12,13,14)
InChIKeyTXKRIFHZOVPOPB-UHFFFAOYSA-N
XLogP2.01
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

butane;1-(2,3-dimethylphenyl)ethanimine
CID 177029537
1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane
CID 142080417
2,3-dimethylbenzamide;ethane
CID 143389789
1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine
CID 141113276
1-(2,3-dimethylphenyl)pentan-1-imine
CID 57407840
2,6-dimethylbenzenecarboximidamide
CID 5047790
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107110287
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698
N'-(2,3-dimethylphenyl)carbamimidoyl fluoride
CID 163630481
2,3-dimethylbenzohydrazide
CID 16790549

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide?
The IUPAC name of N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide (CID 144603965) is N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide.
What is the SMILES notation for N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide?
The canonical SMILES for N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide is [H]/N=C(\N=C(/C)N)c1cccc(C)c1C.
What is the InChIKey of N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide?
The InChIKey is TXKRIFHZOVPOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-5-4-6-10(8(7)2)11(13)14-9(3)12/h4-6H,1-3H3,(H3,12,13,14).
What are the key properties of N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide?
N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide has a molecular weight of 189.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide is sourced from PubChem (CID 144603965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).