1,1-bis(2-methoxyethyl)-3-methylideneguanidine

C8H17N3O2 — CID 156839697

IUPAC1,1-bis(2-methoxyethyl)-3-methylideneguanidine
SMILES[H]/N=C(\N=C)N(CCOC)CCOC
InChIInChI=1S/C8H17N3O2/c1-10-8(9)11(4-6-12-2)5-7-13-3/h9H,1,4-7H2,2-3H3/b9-8+
InChIKeyFMNYJKSOVJWODJ-CMDGGOBGSA-N
MW187.24 g/mol
LogP0.22
Rot. Bonds6

About 1,1-bis(2-methoxyethyl)-3-methylideneguanidine

1,1-bis(2-methoxyethyl)-3-methylideneguanidine (PubChem CID 156839697) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-methylideneguanidine.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-methylideneguanidine
PubChem CID156839697
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1,1-bis(2-methoxyethyl)-3-methylideneguanidine
SMILES[H]/N=C(\N=C)N(CCOC)CCOC
InChIInChI=1S/C8H17N3O2/c1-10-8(9)11(4-6-12-2)5-7-13-3/h9H,1,4-7H2,2-3H3/b9-8+
InChIKeyFMNYJKSOVJWODJ-CMDGGOBGSA-N
XLogP0.22
TPSA57.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-methylideneguanidine?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-methylideneguanidine (CID 156839697) is 1,1-bis(2-methoxyethyl)-3-methylideneguanidine.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-methylideneguanidine?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-methylideneguanidine is [H]/N=C(\N=C)N(CCOC)CCOC.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-methylideneguanidine?
The InChIKey is FMNYJKSOVJWODJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-8(9)11(4-6-12-2)5-7-13-3/h9H,1,4-7H2,2-3H3/b9-8+.
What are the key properties of 1,1-bis(2-methoxyethyl)-3-methylideneguanidine?
1,1-bis(2-methoxyethyl)-3-methylideneguanidine has a molecular weight of 187.24 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-methylideneguanidine is sourced from PubChem (CID 156839697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).