4-[(hept-6-enylamino)methyl]oxan-4-ol

C13H25NO2 — CID 107006982

IUPAC4-[(hept-6-enylamino)methyl]oxan-4-ol
SMILESC=CCCCCCNCC1(O)CCOCC1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-9-14-12-13(15)7-10-16-11-8-13/h2,14-15H,1,3-12H2
InChIKeyAPHBMGZIMWHFEV-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.86
Rot. Bonds8

About 4-[(hept-6-enylamino)methyl]oxan-4-ol

4-[(hept-6-enylamino)methyl]oxan-4-ol (PubChem CID 107006982) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(hept-6-enylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(hept-6-enylamino)methyl]oxan-4-ol
PubChem CID107006982
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[(hept-6-enylamino)methyl]oxan-4-ol
SMILESC=CCCCCCNCC1(O)CCOCC1
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-9-14-12-13(15)7-10-16-11-8-13/h2,14-15H,1,3-12H2
InChIKeyAPHBMGZIMWHFEV-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.86
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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Related Compounds

N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)pent-4-enamide
CID 79039027
N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide
CID 81130145
4-[(Pent-4-enylamino)methyl]oxan-4-ol
CID 81130194
4-[(2-Methylidenebutylamino)methyl]oxan-4-ol
CID 81131211
4-[(But-3-enylamino)methyl]oxan-4-ol
CID 81131218
4-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]oxan-4-ol
CID 81131279
4-[(Cyclohex-3-en-1-ylmethylamino)methyl]oxan-4-ol
CID 81131289
4-[(Prop-2-enylamino)methyl]oxan-4-ol
CID 81131318
4-[(6-Methylhept-5-en-2-ylamino)methyl]oxan-4-ol
CID 84588218
4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol
CID 97231488
4-[[[(2R)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol
CID 97231489
1-(Cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373

Frequently Asked Questions

What is the IUPAC name of 4-[(hept-6-enylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(hept-6-enylamino)methyl]oxan-4-ol (CID 107006982) is 4-[(hept-6-enylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(hept-6-enylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(hept-6-enylamino)methyl]oxan-4-ol is C=CCCCCCNCC1(O)CCOCC1.
What is the InChIKey of 4-[(hept-6-enylamino)methyl]oxan-4-ol?
The InChIKey is APHBMGZIMWHFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-9-14-12-13(15)7-10-16-11-8-13/h2,14-15H,1,3-12H2.
What are the key properties of 4-[(hept-6-enylamino)methyl]oxan-4-ol?
4-[(hept-6-enylamino)methyl]oxan-4-ol has a molecular weight of 227.35 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(hept-6-enylamino)methyl]oxan-4-ol is sourced from PubChem (CID 107006982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).