1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine

C10H24N10 — CID 176523291

IUPAC1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine
SMILES[H]/N=C(\N/C(N)=N/C)N(C)CCN/C(=N/C)N/C(N)=N/C
InChIInChI=1S/C10H24N10/c1-14-7(11)18-9(13)20(4)6-5-17-10(16-3)19-8(12)15-2/h5-6H2,1-4H3,(H4,11,13,14,18)(H4,12,15,16,17,19)
InChIKeyYHKKFIBYUAOHJB-UHFFFAOYSA-N
MW284.37 g/mol
LogP-2.50
Rot. Bonds3

About 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine

1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine (PubChem CID 176523291) has the molecular formula C10H24N10 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine.

Molecular Properties

Compound Name1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine
PubChem CID176523291
Molecular FormulaC10H24N10
Molecular Weight284.37 g/mol
Exact Mass284.22
IUPAC Name1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine
SMILES[H]/N=C(\N/C(N)=N/C)N(C)CCN/C(=N/C)N/C(N)=N/C
InChIInChI=1S/C10H24N10/c1-14-7(11)18-9(13)20(4)6-5-17-10(16-3)19-8(12)15-2/h5-6H2,1-4H3,(H4,11,13,14,18)(H4,12,15,16,17,19)
InChIKeyYHKKFIBYUAOHJB-UHFFFAOYSA-N
XLogP-2.50
TPSA152.30 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.37
LogP ≤ 5-2.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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-butyl-3-carbamimidoyl-2-methylguanidine
CID 176533702
1,1-dimethyl-3-(N'-methylcarbamimidoyl)guanidine;methane;(3R,4R,5R,6S)-3-methylnonane-4,5,6-triol
CID 176542682
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
1,1-dimethyl-3-(N'-pentylcarbamimidoyl)guanidine;hydrochloride
CID 176524917
1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine
CID 148897380
3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine
CID 176546318
N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
CID 176523223
1-[carbamimidoyl(ethyl)amino]-2-methylguanidine
CID 151745026
1-butyl-3-[2-[butyl(methyl)amino]ethyl]-2-methylguanidine
CID 111781324
1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111151966
1,2-dimethyl-3-(N'-methylcarbamimidoyl)-1-(3-phenylpropyl)guanidine
CID 123172045

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine?
The IUPAC name of 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine (CID 176523291) is 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine.
What is the SMILES notation for 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine?
The canonical SMILES for 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine is [H]/N=C(\N/C(N)=N/C)N(C)CCN/C(=N/C)N/C(N)=N/C.
What is the InChIKey of 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine?
The InChIKey is YHKKFIBYUAOHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N10/c1-14-7(11)18-9(13)20(4)6-5-17-10(16-3)19-8(12)15-2/h5-6H2,1-4H3,(H4,11,13,14,18)(H4,12,15,16,17,19).
What are the key properties of 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine?
1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine has a molecular weight of 284.37 g/mol, XLogP of -2.50, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine is sourced from PubChem (CID 176523291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).