(E)-18-aminooctadec-9-en-7-ol

C18H37NO — CID 23105251

IUPAC(E)-18-aminooctadec-9-en-7-ol
SMILESCCCCCCC(O)C/C=C/CCCCCCCCN
InChIInChI=1S/C18H37NO/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18,20H,2-9,11-12,14-17,19H2,1H3/b13-10+
InChIKeySGOQMDILVDEGKA-JLHYYAGUSA-N
MW283.50 g/mol
LogP4.95
Rot. Bonds15

About (E)-18-aminooctadec-9-en-7-ol

(E)-18-aminooctadec-9-en-7-ol (PubChem CID 23105251) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (E)-18-aminooctadec-9-en-7-ol.

Molecular Properties

Compound Name(E)-18-aminooctadec-9-en-7-ol
PubChem CID23105251
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(E)-18-aminooctadec-9-en-7-ol
SMILESCCCCCCC(O)C/C=C/CCCCCCCCN
InChIInChI=1S/C18H37NO/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18,20H,2-9,11-12,14-17,19H2,1H3/b13-10+
InChIKeySGOQMDILVDEGKA-JLHYYAGUSA-N
XLogP4.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.95
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 (E)-18-aminooctadec-9-en-7-ol?
The IUPAC name of (E)-18-aminooctadec-9-en-7-ol (CID 23105251) is (E)-18-aminooctadec-9-en-7-ol.
What is the SMILES notation for (E)-18-aminooctadec-9-en-7-ol?
The canonical SMILES for (E)-18-aminooctadec-9-en-7-ol is CCCCCCC(O)C/C=C/CCCCCCCCN.
What is the InChIKey of (E)-18-aminooctadec-9-en-7-ol?
The InChIKey is SGOQMDILVDEGKA-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18,20H,2-9,11-12,14-17,19H2,1H3/b13-10+.
What are the key properties of (E)-18-aminooctadec-9-en-7-ol?
(E)-18-aminooctadec-9-en-7-ol has a molecular weight of 283.50 g/mol, XLogP of 4.95, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-18-aminooctadec-9-en-7-ol is sourced from PubChem (CID 23105251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).