1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride

C11H18ClN5 — CID 162304757

IUPAC1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride
SMILESC/N=C(\N)N/C(N)=N/Cc1ccc(C)cc1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-8-3-5-9(6-4-8)7-15-11(13)16-10(12)14-2;/h3-6H,7H2,1-2H3,(H5,12,13,14,15,16);1H
InChIKeyDCXPYQPZFKGRFM-UHFFFAOYSA-N
MW255.75 g/mol
LogP0.77
Rot. Bonds2

About 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride

1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride (PubChem CID 162304757) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride.

Molecular Properties

Compound Name1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride
PubChem CID162304757
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride
SMILESC/N=C(\N)N/C(N)=N/Cc1ccc(C)cc1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-8-3-5-9(6-4-8)7-15-11(13)16-10(12)14-2;/h3-6H,7H2,1-2H3,(H5,12,13,14,15,16);1H
InChIKeyDCXPYQPZFKGRFM-UHFFFAOYSA-N
XLogP0.77
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 50.77
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

1-tert-butyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110912100
1-amino-2-[(4-methylphenyl)methyl]guanidine;nitric acid
CID 23618037
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
CID 62481269
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
1-(3,5-dimethylphenyl)-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111042013
2-[(4-methylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 95292400
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 116512550
1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 15598981
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methylphenyl)methyl]guanidine
CID 111026006
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755

Frequently Asked Questions

What is the IUPAC name of 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride?
The IUPAC name of 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride (CID 162304757) is 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride.
What is the SMILES notation for 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride?
The canonical SMILES for 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride is C/N=C(\N)N/C(N)=N/Cc1ccc(C)cc1.Cl.
What is the InChIKey of 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride?
The InChIKey is DCXPYQPZFKGRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.ClH/c1-8-3-5-9(6-4-8)7-15-11(13)16-10(12)14-2;/h3-6H,7H2,1-2H3,(H5,12,13,14,15,16);1H.
What are the key properties of 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride?
1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride is sourced from PubChem (CID 162304757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).