5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol

C16H31NO2 — CID 87687512

IUPAC5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol
SMILESC=CCC(CC=C)(CCCCO)NCCCCCO
InChIInChI=1S/C16H31NO2/c1-3-10-16(11-4-2,12-6-9-15-19)17-13-7-5-8-14-18/h3-4,17-19H,1-2,5-15H2
InChIKeyGQLRRZNWNORIBV-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.79
Rot. Bonds14

About 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol

5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol (PubChem CID 87687512) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol.

Molecular Properties

Compound Name5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol
PubChem CID87687512
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol
SMILESC=CCC(CC=C)(CCCCO)NCCCCCO
InChIInChI=1S/C16H31NO2/c1-3-10-16(11-4-2,12-6-9-15-19)17-13-7-5-8-14-18/h3-4,17-19H,1-2,5-15H2
InChIKeyGQLRRZNWNORIBV-UHFFFAOYSA-N
XLogP2.79
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
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 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol?
The IUPAC name of 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol (CID 87687512) is 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol.
What is the SMILES notation for 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol?
The canonical SMILES for 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol is C=CCC(CC=C)(CCCCO)NCCCCCO.
What is the InChIKey of 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol?
The InChIKey is GQLRRZNWNORIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-10-16(11-4-2,12-6-9-15-19)17-13-7-5-8-14-18/h3-4,17-19H,1-2,5-15H2.
What are the key properties of 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol?
5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.79, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol is sourced from PubChem (CID 87687512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).