1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine

C9H19N3O — CID 62359696

IUPAC1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\N)N(C)CC1CCCCO1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12(2)7-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyMHFHRXUHFDPZLD-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds2

About 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine

1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine (PubChem CID 62359696) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine
PubChem CID62359696
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\N)N(C)CC1CCCCO1
InChIInChI=1S/C9H19N3O/c1-11-9(10)12(2)7-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyMHFHRXUHFDPZLD-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
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 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine (CID 62359696) is 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine is C/N=C(\N)N(C)CC1CCCCO1.
What is the InChIKey of 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
The InChIKey is MHFHRXUHFDPZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(10)12(2)7-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine is sourced from PubChem (CID 62359696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).