2-carbamimidoyl-1-methoxy-1-methylguanidine

C4H11N5O — CID 176522466

IUPAC2-carbamimidoyl-1-methoxy-1-methylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(C)OC
InChIInChI=1S/C4H11N5O/c1-9(10-2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
InChIKeyOTBVYNSCLBODDP-UHFFFAOYSA-N
MW145.17 g/mol
LogP-1.31
Rot. Bonds1

About 2-carbamimidoyl-1-methoxy-1-methylguanidine

2-carbamimidoyl-1-methoxy-1-methylguanidine (PubChem CID 176522466) has the molecular formula C4H11N5O and a molecular weight of 145.17 g/mol. Its IUPAC name is 2-carbamimidoyl-1-methoxy-1-methylguanidine.

Molecular Properties

Compound Name2-carbamimidoyl-1-methoxy-1-methylguanidine
PubChem CID176522466
Molecular FormulaC4H11N5O
Molecular Weight145.17 g/mol
Exact Mass145.10
IUPAC Name2-carbamimidoyl-1-methoxy-1-methylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(C)OC
InChIInChI=1S/C4H11N5O/c1-9(10-2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
InChIKeyOTBVYNSCLBODDP-UHFFFAOYSA-N
XLogP-1.31
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.17
LogP ≤ 5-1.31
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
2-carbamimidoyl-1-(2-cyanoethyl)-1-methylguanidine
CID 176546720
N'-carbamimidoylethanimidamide
CID 20603119
2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
CID 176518469
2-carbamimidoyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 176546898
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine
CID 176536925
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
CID 176547026

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-methoxy-1-methylguanidine?
The IUPAC name of 2-carbamimidoyl-1-methoxy-1-methylguanidine (CID 176522466) is 2-carbamimidoyl-1-methoxy-1-methylguanidine.
What is the SMILES notation for 2-carbamimidoyl-1-methoxy-1-methylguanidine?
The canonical SMILES for 2-carbamimidoyl-1-methoxy-1-methylguanidine is [H]/N=C(N)/N=C(\N)N(C)OC.
What is the InChIKey of 2-carbamimidoyl-1-methoxy-1-methylguanidine?
The InChIKey is OTBVYNSCLBODDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5O/c1-9(10-2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8).
What are the key properties of 2-carbamimidoyl-1-methoxy-1-methylguanidine?
2-carbamimidoyl-1-methoxy-1-methylguanidine has a molecular weight of 145.17 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-methoxy-1-methylguanidine is sourced from PubChem (CID 176522466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).