4-[(pent-4-enylamino)methyl]oxan-4-ol

C11H21NO2 — CID 81130194

IUPAC4-[(pent-4-enylamino)methyl]oxan-4-ol
SMILESC=CCCCNCC1(O)CCOCC1
InChIInChI=1S/C11H21NO2/c1-2-3-4-7-12-10-11(13)5-8-14-9-6-11/h2,12-13H,1,3-10H2
InChIKeyXUFBWKYZRAPDAV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds6

About 4-[(pent-4-enylamino)methyl]oxan-4-ol

4-[(pent-4-enylamino)methyl]oxan-4-ol (PubChem CID 81130194) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(pent-4-enylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(pent-4-enylamino)methyl]oxan-4-ol
PubChem CID81130194
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(pent-4-enylamino)methyl]oxan-4-ol
SMILESC=CCCCNCC1(O)CCOCC1
InChIInChI=1S/C11H21NO2/c1-2-3-4-7-12-10-11(13)5-8-14-9-6-11/h2,12-13H,1,3-10H2
InChIKeyXUFBWKYZRAPDAV-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(pent-4-enylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(pent-4-enylamino)methyl]oxan-4-ol (CID 81130194) is 4-[(pent-4-enylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(pent-4-enylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(pent-4-enylamino)methyl]oxan-4-ol is C=CCCCNCC1(O)CCOCC1.
What is the InChIKey of 4-[(pent-4-enylamino)methyl]oxan-4-ol?
The InChIKey is XUFBWKYZRAPDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-4-7-12-10-11(13)5-8-14-9-6-11/h2,12-13H,1,3-10H2.
What are the key properties of 4-[(pent-4-enylamino)methyl]oxan-4-ol?
4-[(pent-4-enylamino)methyl]oxan-4-ol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pent-4-enylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).