1,2-bis(3-methoxypropyl)guanidine

C9H21N3O2 — CID 23103907

IUPAC1,2-bis(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\N)NCCCOC
InChIInChI=1S/C9H21N3O2/c1-13-7-3-5-11-9(10)12-6-4-8-14-2/h3-8H2,1-2H3,(H3,10,11,12)
InChIKeyJXBZLTNIYNWKMG-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.04
Rot. Bonds8

About 1,2-bis(3-methoxypropyl)guanidine

1,2-bis(3-methoxypropyl)guanidine (PubChem CID 23103907) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1,2-bis(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3-methoxypropyl)guanidine
PubChem CID23103907
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name1,2-bis(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\N)NCCCOC
InChIInChI=1S/C9H21N3O2/c1-13-7-3-5-11-9(10)12-6-4-8-14-2/h3-8H2,1-2H3,(H3,10,11,12)
InChIKeyJXBZLTNIYNWKMG-UHFFFAOYSA-N
XLogP-0.04
TPSA68.87 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 ≤ 5-0.04
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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Related Compounds

1-[3-[3-(Diaminomethylideneamino)propoxy]propyl]guanidine
CID 176536674
2-[N,N'-bis(3-methoxypropyl)carbamimidoyl]-1,1,3,3-tetramethylguanidine
CID 178325456
1-Butyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 75532858
1,2-Dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110914980
1-(3-Methoxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110973820
1-(3-Methoxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110973821
1-Ethyl-2-(3-methoxypropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110973822
1-Ethyl-2-(3-methoxypropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110973823
2-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057669
2-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057670
1-(3-Ethoxypropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057695
1-(3-Ethoxypropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057696

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methoxypropyl)guanidine?
The IUPAC name of 1,2-bis(3-methoxypropyl)guanidine (CID 23103907) is 1,2-bis(3-methoxypropyl)guanidine.
What is the SMILES notation for 1,2-bis(3-methoxypropyl)guanidine?
The canonical SMILES for 1,2-bis(3-methoxypropyl)guanidine is COCCC/N=C(\N)NCCCOC.
What is the InChIKey of 1,2-bis(3-methoxypropyl)guanidine?
The InChIKey is JXBZLTNIYNWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-13-7-3-5-11-9(10)12-6-4-8-14-2/h3-8H2,1-2H3,(H3,10,11,12).
What are the key properties of 1,2-bis(3-methoxypropyl)guanidine?
1,2-bis(3-methoxypropyl)guanidine has a molecular weight of 203.29 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methoxypropyl)guanidine is sourced from PubChem (CID 23103907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).