1,1-bis(3-methoxypropyl)guanidine

C9H21N3O2 — CID 18681242

IUPAC1,1-bis(3-methoxypropyl)guanidine
SMILES[H]/N=C(\N)N(CCCOC)CCCOC
InChIInChI=1S/C9H21N3O2/c1-13-7-3-5-12(9(10)11)6-4-8-14-2/h3-8H2,1-2H3,(H3,10,11)
InChIKeyNOQNAKUYMHSJDM-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.25
Rot. Bonds8

About 1,1-bis(3-methoxypropyl)guanidine

1,1-bis(3-methoxypropyl)guanidine (PubChem CID 18681242) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1,1-bis(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1,1-bis(3-methoxypropyl)guanidine
PubChem CID18681242
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name1,1-bis(3-methoxypropyl)guanidine
SMILES[H]/N=C(\N)N(CCCOC)CCCOC
InChIInChI=1S/C9H21N3O2/c1-13-7-3-5-12(9(10)11)6-4-8-14-2/h3-8H2,1-2H3,(H3,10,11)
InChIKeyNOQNAKUYMHSJDM-UHFFFAOYSA-N
XLogP0.25
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(3-methoxypropyl)guanidine?
The IUPAC name of 1,1-bis(3-methoxypropyl)guanidine (CID 18681242) is 1,1-bis(3-methoxypropyl)guanidine.
What is the SMILES notation for 1,1-bis(3-methoxypropyl)guanidine?
The canonical SMILES for 1,1-bis(3-methoxypropyl)guanidine is [H]/N=C(\N)N(CCCOC)CCCOC.
What is the InChIKey of 1,1-bis(3-methoxypropyl)guanidine?
The InChIKey is NOQNAKUYMHSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-13-7-3-5-12(9(10)11)6-4-8-14-2/h3-8H2,1-2H3,(H3,10,11).
What are the key properties of 1,1-bis(3-methoxypropyl)guanidine?
1,1-bis(3-methoxypropyl)guanidine has a molecular weight of 203.29 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-methoxypropyl)guanidine is sourced from PubChem (CID 18681242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).