4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol

C12H23NO2 — CID 104582226

IUPAC4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol
SMILESC=CCCC(C)NCC1(O)CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-11(2)13-10-12(14)6-8-15-9-7-12/h3,11,13-14H,1,4-10H2,2H3
InChIKeyMDTSIZFCTIVHKI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds6

About 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol

4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol (PubChem CID 104582226) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol
PubChem CID104582226
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol
SMILESC=CCCC(C)NCC1(O)CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-4-5-11(2)13-10-12(14)6-8-15-9-7-12/h3,11,13-14H,1,4-10H2,2H3
InChIKeyMDTSIZFCTIVHKI-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
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-[(hex-5-en-2-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol (CID 104582226) is 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol is C=CCCC(C)NCC1(O)CCOCC1.
What is the InChIKey of 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol?
The InChIKey is MDTSIZFCTIVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-11(2)13-10-12(14)6-8-15-9-7-12/h3,11,13-14H,1,4-10H2,2H3.
What are the key properties of 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol?
4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(hex-5-en-2-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 104582226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).