2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine

C13H27N3O2 — CID 122082719

IUPAC2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCOCC1(CN=C(N(C)C)N(C)C)CCOCC1
InChIInChI=1S/C13H27N3O2/c1-15(2)12(16(3)4)14-10-13(11-17-5)6-8-18-9-7-13/h6-11H2,1-5H3
InChIKeyIVBUQDNJVWEYJY-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.91
Rot. Bonds4

About 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine

2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 122082719) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
PubChem CID122082719
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCOCC1(CN=C(N(C)C)N(C)C)CCOCC1
InChIInChI=1S/C13H27N3O2/c1-15(2)12(16(3)4)14-10-13(11-17-5)6-8-18-9-7-13/h6-11H2,1-5H3
InChIKeyIVBUQDNJVWEYJY-UHFFFAOYSA-N
XLogP0.91
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.91
H-Bond Donors ≤ 50
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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Related Compounds

1,1,3,3-Tetramethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111818527
1,1,3,3-Tetramethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111818528
2-[[1-(2-Ethoxyethyl)cyclopropyl]methyl]-1,1,3,3-tetramethylguanidine
CID 112411323
1,1,3,3-Tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide
CID 119118920
1,1,3,3-Tetramethyl-2-(oxan-4-ylmethyl)guanidine
CID 119118921
2-[[4-(Hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 119955541
2-[[4-(Hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 119955542
2-[(4-Ethyloxan-4-yl)methyl]-1,1,3,3-tetramethylguanidine
CID 121827842
1,1,3,3-Tetramethyl-2-[(4-methyloxan-4-yl)methyl]guanidine
CID 121828507
2-[(3-Methoxyoxan-4-yl)methyl]-1,1,3,3-tetramethylguanidine
CID 122097385

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine (CID 122082719) is 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine is COCC1(CN=C(N(C)C)N(C)C)CCOCC1.
What is the InChIKey of 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is IVBUQDNJVWEYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15(2)12(16(3)4)14-10-13(11-17-5)6-8-18-9-7-13/h6-11H2,1-5H3.
What are the key properties of 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 257.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 122082719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).