1-methyl-1-phenylguanidine;hydrochloride

C8H12ClN3 — CID 9455

IUPAC1-methyl-1-phenylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)c1ccccc1
InChIInChI=1S/C8H11N3.ClH/c1-11(8(9)10)7-5-3-2-4-6-7;/h2-6H,1H3,(H3,9,10);1H
InChIKeyLSURDYUWSFVYOI-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-1-phenylguanidine;hydrochloride

1-methyl-1-phenylguanidine;hydrochloride (PubChem CID 9455) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 1-methyl-1-phenylguanidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-1-phenylguanidine;hydrochloride
PubChem CID9455
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name1-methyl-1-phenylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)c1ccccc1
InChIInChI=1S/C8H11N3.ClH/c1-11(8(9)10)7-5-3-2-4-6-7;/h2-6H,1H3,(H3,9,10);1H
InChIKeyLSURDYUWSFVYOI-UHFFFAOYSA-N
XLogP1.44
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.44
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

N,N-Dimethylaniline
CID 949
Diphenylguanidine
CID 7594
N,N-dimethyl-p-phenylenediamine
CID 7472
Phenyltrimethylammonium chloride
CID 67309
1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
CID 7736
Thiourea, N-ethyl-N-phenyl-
CID 825369
N,N'-Diphenylguanidine monohydrochloride
CID 32260
N-Methyl-N-phenylurea
CID 78316
1-Methyl-1-phenylthiourea
CID 723631
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
Diphenylguanidine hydrochloride
CID 520104
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenylguanidine;hydrochloride?
The IUPAC name of 1-methyl-1-phenylguanidine;hydrochloride (CID 9455) is 1-methyl-1-phenylguanidine;hydrochloride.
What is the SMILES notation for 1-methyl-1-phenylguanidine;hydrochloride?
The canonical SMILES for 1-methyl-1-phenylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(C)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenylguanidine;hydrochloride?
The InChIKey is LSURDYUWSFVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.ClH/c1-11(8(9)10)7-5-3-2-4-6-7;/h2-6H,1H3,(H3,9,10);1H.
What are the key properties of 1-methyl-1-phenylguanidine;hydrochloride?
1-methyl-1-phenylguanidine;hydrochloride has a molecular weight of 185.66 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenylguanidine;hydrochloride is sourced from PubChem (CID 9455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).