4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol

C14H27NO2 — CID 87687606

IUPAC4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol
SMILESC=CCC(CC=C)(CCCO)NCCCCO
InChIInChI=1S/C14H27NO2/c1-3-8-14(9-4-2,10-7-13-17)15-11-5-6-12-16/h3-4,15-17H,1-2,5-13H2
InChIKeyGDVFAVDBJWCAIA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.01
Rot. Bonds12

About 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol

4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol (PubChem CID 87687606) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol
PubChem CID87687606
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol
SMILESC=CCC(CC=C)(CCCO)NCCCCO
InChIInChI=1S/C14H27NO2/c1-3-8-14(9-4-2,10-7-13-17)15-11-5-6-12-16/h3-4,15-17H,1-2,5-13H2
InChIKeyGDVFAVDBJWCAIA-UHFFFAOYSA-N
XLogP2.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.01
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 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol?
The IUPAC name of 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol (CID 87687606) is 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol.
What is the SMILES notation for 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol?
The canonical SMILES for 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol is C=CCC(CC=C)(CCCO)NCCCCO.
What is the InChIKey of 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol?
The InChIKey is GDVFAVDBJWCAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-8-14(9-4-2,10-7-13-17)15-11-5-6-12-16/h3-4,15-17H,1-2,5-13H2.
What are the key properties of 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol?
4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.01, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol is sourced from PubChem (CID 87687606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).