[[(Z)-octadec-9-enyl]amino]methanol

C19H39NO — CID 143220768

IUPAC[[(Z)-octadec-9-enyl]amino]methanol
SMILESCCCCCCCC/C=C\CCCCCCCCNCO
InChIInChI=1S/C19H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h9-10,20-21H,2-8,11-19H2,1H3/b10-9-
InChIKeyWBHDZNDYMCWZKJ-KTKRTIGZSA-N
MW297.53 g/mol
LogP5.56
Rot. Bonds17

About [[(Z)-octadec-9-enyl]amino]methanol

[[(Z)-octadec-9-enyl]amino]methanol (PubChem CID 143220768) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is [[(Z)-octadec-9-enyl]amino]methanol.

Molecular Properties

Compound Name[[(Z)-octadec-9-enyl]amino]methanol
PubChem CID143220768
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name[[(Z)-octadec-9-enyl]amino]methanol
SMILESCCCCCCCC/C=C\CCCCCCCCNCO
InChIInChI=1S/C19H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h9-10,20-21H,2-8,11-19H2,1H3/b10-9-
InChIKeyWBHDZNDYMCWZKJ-KTKRTIGZSA-N
XLogP5.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
(pentylamino)methanol;hydrate
CID 174681478
3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]propan-1-ol
CID 134205305
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541
2-[[(Z)-octadec-9-enyl]amino]ethane-1,1-diol
CID 134360654
N-[(Z)-octadec-9-enyl]hydroxylamine
CID 87125672
(Z)-N-propyltridec-4-en-1-amine
CID 174276526
3-(octadec-9-enylamino)propane-1,2-diol
CID 76749826
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051
N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166

Frequently Asked Questions

What is the IUPAC name of [[(Z)-octadec-9-enyl]amino]methanol?
The IUPAC name of [[(Z)-octadec-9-enyl]amino]methanol (CID 143220768) is [[(Z)-octadec-9-enyl]amino]methanol.
What is the SMILES notation for [[(Z)-octadec-9-enyl]amino]methanol?
The canonical SMILES for [[(Z)-octadec-9-enyl]amino]methanol is CCCCCCCC/C=C\CCCCCCCCNCO.
What is the InChIKey of [[(Z)-octadec-9-enyl]amino]methanol?
The InChIKey is WBHDZNDYMCWZKJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h9-10,20-21H,2-8,11-19H2,1H3/b10-9-.
What are the key properties of [[(Z)-octadec-9-enyl]amino]methanol?
[[(Z)-octadec-9-enyl]amino]methanol has a molecular weight of 297.53 g/mol, XLogP of 5.56, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-octadec-9-enyl]amino]methanol is sourced from PubChem (CID 143220768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).