1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine

C8H14N6 — CID 123915713

IUPAC1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)c1ccc[nH]1
InChIInChI=1S/C8H14N6/c1-11-7(9)13-8(10)14(2)6-4-3-5-12-6/h3-5,12H,1-2H3,(H4,9,10,11,13)
InChIKeyWBTAVPRFNRBJMX-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.29
Rot. Bonds1

About 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine

1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine (PubChem CID 123915713) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine.

Molecular Properties

Compound Name1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
PubChem CID123915713
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)c1ccc[nH]1
InChIInChI=1S/C8H14N6/c1-11-7(9)13-8(10)14(2)6-4-3-5-12-6/h3-5,12H,1-2H3,(H4,9,10,11,13)
InChIKeyWBTAVPRFNRBJMX-UHFFFAOYSA-N
XLogP-0.29
TPSA95.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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

1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine
CID 123209755
1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 123298365
1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine
CID 123140096
3-[methyl(1H-pyrrol-2-yl)amino]-3-oxopropanoic acid
CID 115163315
4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
CID 115156967
N-methyl-4-oxo-N-(1H-pyrrol-2-yl)pentanamide
CID 115176799
1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine
CID 123396069
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212707
2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
CID 115127877
1-carbamimidoyl-1-methyl-2-(1H-pyrrol-2-yl)guanidine
CID 123423334
(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide
CID 143087649

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
The IUPAC name of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine (CID 123915713) is 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine.
What is the SMILES notation for 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
The canonical SMILES for 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine is C/N=C(\N)N=C(N)N(C)c1ccc[nH]1.
What is the InChIKey of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
The InChIKey is WBTAVPRFNRBJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-11-7(9)13-8(10)14(2)6-4-3-5-12-6/h3-5,12H,1-2H3,(H4,9,10,11,13).
What are the key properties of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine has a molecular weight of 194.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine is sourced from PubChem (CID 123915713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).