2-aminooctadec-9-en-1-ol

C18H37NO — CID 75003887

IUPAC2-aminooctadec-9-en-1-ol
SMILESCCCCCCCCC=CCCCCCCC(N)CO
InChIInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h9-10,18,20H,2-8,11-17,19H2,1H3
InChIKeyJANZZHYDSGPNRO-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.95
Rot. Bonds15

About 2-aminooctadec-9-en-1-ol

2-aminooctadec-9-en-1-ol (PubChem CID 75003887) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-aminooctadec-9-en-1-ol.

Molecular Properties

Compound Name2-aminooctadec-9-en-1-ol
PubChem CID75003887
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-aminooctadec-9-en-1-ol
SMILESCCCCCCCCC=CCCCCCCC(N)CO
InChIInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h9-10,18,20H,2-8,11-17,19H2,1H3
InChIKeyJANZZHYDSGPNRO-UHFFFAOYSA-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 2-aminooctadec-9-en-1-ol?
The IUPAC name of 2-aminooctadec-9-en-1-ol (CID 75003887) is 2-aminooctadec-9-en-1-ol.
What is the SMILES notation for 2-aminooctadec-9-en-1-ol?
The canonical SMILES for 2-aminooctadec-9-en-1-ol is CCCCCCCCC=CCCCCCCC(N)CO.
What is the InChIKey of 2-aminooctadec-9-en-1-ol?
The InChIKey is JANZZHYDSGPNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h9-10,18,20H,2-8,11-17,19H2,1H3.
What are the key properties of 2-aminooctadec-9-en-1-ol?
2-aminooctadec-9-en-1-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 2-aminooctadec-9-en-1-ol is sourced from PubChem (CID 75003887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).