[6-[amino(methyl)amino]oxan-2-yl]methanol

C7H16N2O2 — CID 67062802

IUPAC[6-[amino(methyl)amino]oxan-2-yl]methanol
SMILESCN(N)C1CCCC(CO)O1
InChIInChI=1S/C7H16N2O2/c1-9(8)7-4-2-3-6(5-10)11-7/h6-7,10H,2-5,8H2,1H3
InChIKeyVNVNETGTROWYKU-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.32
Rot. Bonds2

About [6-[amino(methyl)amino]oxan-2-yl]methanol

[6-[amino(methyl)amino]oxan-2-yl]methanol (PubChem CID 67062802) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [6-[amino(methyl)amino]oxan-2-yl]methanol.

Molecular Properties

Compound Name[6-[amino(methyl)amino]oxan-2-yl]methanol
PubChem CID67062802
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name[6-[amino(methyl)amino]oxan-2-yl]methanol
SMILESCN(N)C1CCCC(CO)O1
InChIInChI=1S/C7H16N2O2/c1-9(8)7-4-2-3-6(5-10)11-7/h6-7,10H,2-5,8H2,1H3
InChIKeyVNVNETGTROWYKU-UHFFFAOYSA-N
XLogP-0.32
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[Amino(methyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 345137

Frequently Asked Questions

What is the IUPAC name of [6-[amino(methyl)amino]oxan-2-yl]methanol?
The IUPAC name of [6-[amino(methyl)amino]oxan-2-yl]methanol (CID 67062802) is [6-[amino(methyl)amino]oxan-2-yl]methanol.
What is the SMILES notation for [6-[amino(methyl)amino]oxan-2-yl]methanol?
The canonical SMILES for [6-[amino(methyl)amino]oxan-2-yl]methanol is CN(N)C1CCCC(CO)O1.
What is the InChIKey of [6-[amino(methyl)amino]oxan-2-yl]methanol?
The InChIKey is VNVNETGTROWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(8)7-4-2-3-6(5-10)11-7/h6-7,10H,2-5,8H2,1H3.
What are the key properties of [6-[amino(methyl)amino]oxan-2-yl]methanol?
[6-[amino(methyl)amino]oxan-2-yl]methanol has a molecular weight of 160.22 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[amino(methyl)amino]oxan-2-yl]methanol is sourced from PubChem (CID 67062802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).