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

C12H25N3O2 — CID 119955542

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCC1(CO)CCOCC1)N(C)C
InChIInChI=1S/C12H25N3O2/c1-14(2)11(15(3)4)13-9-12(10-16)5-7-17-8-6-12/h16H,5-10H2,1-4H3
InChIKeyRUEYMXRRFMKXDV-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.25
Rot. Bonds3

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

2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 119955542) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
PubChem CID119955542
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCC1(CO)CCOCC1)N(C)C
InChIInChI=1S/C12H25N3O2/c1-14(2)11(15(3)4)13-9-12(10-16)5-7-17-8-6-12/h16H,5-10H2,1-4H3
InChIKeyRUEYMXRRFMKXDV-UHFFFAOYSA-N
XLogP0.25
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.25
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 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine (CID 119955542) is 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCC1(CO)CCOCC1)N(C)C.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is RUEYMXRRFMKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-14(2)11(15(3)4)13-9-12(10-16)5-7-17-8-6-12/h16H,5-10H2,1-4H3.
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine?
2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 243.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 119955542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).