4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol

C14H27NO2 — CID 84588218

IUPAC4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol
SMILESCC(C)=CCCC(C)NCC1(O)CCOCC1
InChIInChI=1S/C14H27NO2/c1-12(2)5-4-6-13(3)15-11-14(16)7-9-17-10-8-14/h5,13,15-16H,4,6-11H2,1-3H3
InChIKeySEWCKRMXLCNYJV-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.25
Rot. Bonds6

About 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol

4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol (PubChem CID 84588218) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol
PubChem CID84588218
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol
SMILESCC(C)=CCCC(C)NCC1(O)CCOCC1
InChIInChI=1S/C14H27NO2/c1-12(2)5-4-6-13(3)15-11-14(16)7-9-17-10-8-14/h5,13,15-16H,4,6-11H2,1-3H3
InChIKeySEWCKRMXLCNYJV-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.25
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-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol (CID 84588218) is 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol is CC(C)=CCCC(C)NCC1(O)CCOCC1.
What is the InChIKey of 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol?
The InChIKey is SEWCKRMXLCNYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)5-4-6-13(3)15-11-14(16)7-9-17-10-8-14/h5,13,15-16H,4,6-11H2,1-3H3.
What are the key properties of 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol?
4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol has a molecular weight of 241.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylhept-5-en-2-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 84588218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).