N,N,N'-trimethylbenzenecarboximidamide;hydrochloride

C10H15ClN2 — CID 3049214

IUPACN,N,N'-trimethylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(/c1ccccc1)N(C)C.Cl
InChIInChI=1S/C10H14N2.ClH/c1-11-10(12(2)3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/b11-10-;
InChIKeyVIYSIWPBDVAGBO-GMFCBQQYSA-N
MW198.70 g/mol
LogP2.05
Rot. Bonds1

About N,N,N'-trimethylbenzenecarboximidamide;hydrochloride

N,N,N'-trimethylbenzenecarboximidamide;hydrochloride (PubChem CID 3049214) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N,N,N'-trimethylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN,N,N'-trimethylbenzenecarboximidamide;hydrochloride
PubChem CID3049214
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN,N,N'-trimethylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(/c1ccccc1)N(C)C.Cl
InChIInChI=1S/C10H14N2.ClH/c1-11-10(12(2)3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/b11-10-;
InChIKeyVIYSIWPBDVAGBO-GMFCBQQYSA-N
XLogP2.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.05
H-Bond Donors ≤ 50
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

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N'-Cyanobenzenecarboximidamide
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CID 361542
Benzamidine, N-benzyl-, hydrochloride
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N,N-Dimethylbenzenecarboximidamide--hydrogen chloride (1/1)
CID 361539
N,N-Dimethyl-N'-(phenylmethyl)methanimidamide
CID 523875
N-((4-Hexyl-1-piperazinyl)phenylmethylene)-2-methyl-1-propanamine
CID 40026
[3-(Diethylamino)isoindol-1-ylidene]-diethylazanium perchlorate
CID 9552001
N-benzylbenzamidine
CID 200369
N,N-dimethylbenzamidine
CID 361540
4,5,6,7-Tetrahydro-2-phenyl-1H-1,3-diazepine
CID 576157
1-Benzyl-2-phenyl-4,5-dihydroimidazole
CID 11207103

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N,N,N'-trimethylbenzenecarboximidamide;hydrochloride (CID 3049214) is N,N,N'-trimethylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N,N,N'-trimethylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N,N,N'-trimethylbenzenecarboximidamide;hydrochloride is C/N=C(/c1ccccc1)N(C)C.Cl.
What is the InChIKey of N,N,N'-trimethylbenzenecarboximidamide;hydrochloride?
The InChIKey is VIYSIWPBDVAGBO-GMFCBQQYSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-11-10(12(2)3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/b11-10-;.
What are the key properties of N,N,N'-trimethylbenzenecarboximidamide;hydrochloride?
N,N,N'-trimethylbenzenecarboximidamide;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3049214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).