1,1-bis(methoxymethyl)guanidine

C5H13N3O2 — CID 59912827

IUPAC1,1-bis(methoxymethyl)guanidine
SMILES[H]/N=C(\N)N(COC)COC
InChIInChI=1S/C5H13N3O2/c1-9-3-8(4-10-2)5(6)7/h3-4H2,1-2H3,(H3,6,7)
InChIKeyQHCOREGPLZZMLC-UHFFFAOYSA-N
MW147.18 g/mol
LogP-0.61
Rot. Bonds4

About 1,1-bis(methoxymethyl)guanidine

1,1-bis(methoxymethyl)guanidine (PubChem CID 59912827) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1,1-bis(methoxymethyl)guanidine.

Molecular Properties

Compound Name1,1-bis(methoxymethyl)guanidine
PubChem CID59912827
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Name1,1-bis(methoxymethyl)guanidine
SMILES[H]/N=C(\N)N(COC)COC
InChIInChI=1S/C5H13N3O2/c1-9-3-8(4-10-2)5(6)7/h3-4H2,1-2H3,(H3,6,7)
InChIKeyQHCOREGPLZZMLC-UHFFFAOYSA-N
XLogP-0.61
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
CID 87621187
1-(2,2-dihydroxyethyl)-1-ethylguanidine
CID 20660155
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
2-[carbamimidoyl(2-oxopropyl)amino]acetic acid
CID 118322379
2-[2-methoxyethyl(methyl)amino]ethanimidamide
CID 61427043
1-butyl-1-hydroxyguanidine
CID 55288777
1-amino-1-ethoxyguanidine;hydrochloride
CID 158987183
1,1-bis(11-methyldodecyl)guanidine
CID 19826644
1-iodo-1-methylguanidine
CID 174838872
4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 82951402
1,1-dibenzylguanidine
CID 9487

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methoxymethyl)guanidine?
The IUPAC name of 1,1-bis(methoxymethyl)guanidine (CID 59912827) is 1,1-bis(methoxymethyl)guanidine.
What is the SMILES notation for 1,1-bis(methoxymethyl)guanidine?
The canonical SMILES for 1,1-bis(methoxymethyl)guanidine is [H]/N=C(\N)N(COC)COC.
What is the InChIKey of 1,1-bis(methoxymethyl)guanidine?
The InChIKey is QHCOREGPLZZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-9-3-8(4-10-2)5(6)7/h3-4H2,1-2H3,(H3,6,7).
What are the key properties of 1,1-bis(methoxymethyl)guanidine?
1,1-bis(methoxymethyl)guanidine has a molecular weight of 147.18 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methoxymethyl)guanidine is sourced from PubChem (CID 59912827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).