1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine

C11H23N3O — CID 119118921

IUPAC1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine
SMILESCN(C)C(=NCC1CCOCC1)N(C)C
InChIInChI=1S/C11H23N3O/c1-13(2)11(14(3)4)12-9-10-5-7-15-8-6-10/h10H,5-9H2,1-4H3
InChIKeyFYWJYYNQYXAMHD-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.89
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine

1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine (PubChem CID 119118921) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine
PubChem CID119118921
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine
SMILESCN(C)C(=NCC1CCOCC1)N(C)C
InChIInChI=1S/C11H23N3O/c1-13(2)11(14(3)4)12-9-10-5-7-15-8-6-10/h10H,5-9H2,1-4H3
InChIKeyFYWJYYNQYXAMHD-UHFFFAOYSA-N
XLogP0.89
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine (CID 119118921) is 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine is CN(C)C(=NCC1CCOCC1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine?
The InChIKey is FYWJYYNQYXAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13(2)11(14(3)4)12-9-10-5-7-15-8-6-10/h10H,5-9H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine?
1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine is sourced from PubChem (CID 119118921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).