[4-(3-methylbut-3-enylamino)oxan-4-yl]methanol

C11H21NO2 — CID 104926782

IUPAC[4-(3-methylbut-3-enylamino)oxan-4-yl]methanol
SMILESC=C(C)CCNC1(CO)CCOCC1
InChIInChI=1S/C11H21NO2/c1-10(2)3-6-12-11(9-13)4-7-14-8-5-11/h12-13H,1,3-9H2,2H3
InChIKeyOABXOZDNIXNUGK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds5

About [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol

[4-(3-methylbut-3-enylamino)oxan-4-yl]methanol (PubChem CID 104926782) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-methylbut-3-enylamino)oxan-4-yl]methanol
PubChem CID104926782
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[4-(3-methylbut-3-enylamino)oxan-4-yl]methanol
SMILESC=C(C)CCNC1(CO)CCOCC1
InChIInChI=1S/C11H21NO2/c1-10(2)3-6-12-11(9-13)4-7-14-8-5-11/h12-13H,1,3-9H2,2H3
InChIKeyOABXOZDNIXNUGK-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol (CID 104926782) is [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol is C=C(C)CCNC1(CO)CCOCC1.
What is the InChIKey of [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol?
The InChIKey is OABXOZDNIXNUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)3-6-12-11(9-13)4-7-14-8-5-11/h12-13H,1,3-9H2,2H3.
What are the key properties of [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol?
[4-(3-methylbut-3-enylamino)oxan-4-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbut-3-enylamino)oxan-4-yl]methanol is sourced from PubChem (CID 104926782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).