2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine

C8H17N3O2 — CID 63706606

IUPAC2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine
SMILESCN(CC1CCOCC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-11(8(9)10-12)6-7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyLNJQHZWNWXFYAG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds2

About 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine

2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine (PubChem CID 63706606) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine
PubChem CID63706606
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine
SMILESCN(CC1CCOCC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-11(8(9)10-12)6-7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyLNJQHZWNWXFYAG-UHFFFAOYSA-N
XLogP0.05
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Tert-butyl-1-methyl-1-(oxan-4-ylmethyl)guanidine
CID 63706879
1-Methyl-1-(oxan-4-ylmethyl)-2-propan-2-ylguanidine
CID 63706880
N,N'-Dimethyl-N-[(oxan-4-yl)methyl]guanidine
CID 63707042
1-Methyl-1-(oxan-4-ylmethyl)guanidine
CID 63707043
1-Methyl-2-(2-methylpropyl)-1-(oxan-4-ylmethyl)guanidine
CID 63707044
2-Ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine
CID 63707045
1-Methyl-1-(oxan-4-ylmethyl)-2-propylguanidine
CID 63707218
N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide
CID 63978659
2-Hydroxy-1-methyl-1-(oxan-3-ylmethyl)guanidine
CID 76951298
2-Hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine
CID 76951299
N'-hydroxy-4-(methoxymethyl)piperidine-1-carboximidamide
CID 77014142
2-Amino-1-methyl-1-(oxan-4-ylmethyl)guanidine
CID 77054087

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The IUPAC name of 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine (CID 63706606) is 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine.
What is the SMILES notation for 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The canonical SMILES for 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine is CN(CC1CCOCC1)/C(N)=N/O.
What is the InChIKey of 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The InChIKey is LNJQHZWNWXFYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-11(8(9)10-12)6-7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine?
2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine has a molecular weight of 187.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-1-(oxan-4-ylmethyl)guanidine is sourced from PubChem (CID 63706606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).