(4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol

C14H27NO — CID 175634089

IUPAC(4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol
SMILESCCC/C(=C\CC/C=C/CCN)CCCO
InChIInChI=1S/C14H27NO/c1-2-9-14(11-8-13-16)10-6-4-3-5-7-12-15/h3,5,10,16H,2,4,6-9,11-13,15H2,1H3/b5-3+,14-10+
InChIKeyCOXHUIFAXVAONX-JUNXBIINSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds10

About (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol

(4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol (PubChem CID 175634089) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol
PubChem CID175634089
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol
SMILESCCC/C(=C\CC/C=C/CCN)CCCO
InChIInChI=1S/C14H27NO/c1-2-9-14(11-8-13-16)10-6-4-3-5-7-12-15/h3,5,10,16H,2,4,6-9,11-13,15H2,1H3/b5-3+,14-10+
InChIKeyCOXHUIFAXVAONX-JUNXBIINSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol?
The IUPAC name of (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol (CID 175634089) is (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol.
What is the SMILES notation for (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol?
The canonical SMILES for (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol is CCC/C(=C\CC/C=C/CCN)CCCO.
What is the InChIKey of (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol?
The InChIKey is COXHUIFAXVAONX-JUNXBIINSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-9-14(11-8-13-16)10-6-4-3-5-7-12-15/h3,5,10,16H,2,4,6-9,11-13,15H2,1H3/b5-3+,14-10+.
What are the key properties of (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol?
(4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-11-amino-4-propylundeca-4,8-dien-1-ol is sourced from PubChem (CID 175634089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).