1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine

C21H46N2O — CID 174940034

IUPAC1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine
SMILESCC(O)CN.CCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C18H37N.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(5)2-4/h9-10H,2-8,11-19H2,1H3;3,5H,2,4H2,1H3/b10-9-;
InChIKeyIIINIHKGHZYPIA-KVVVOXFISA-N
MW342.61 g/mol
LogP5.31
Rot. Bonds16

About 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine

1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine (PubChem CID 174940034) has the molecular formula C21H46N2O and a molecular weight of 342.61 g/mol. Its IUPAC name is 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine.

Molecular Properties

Compound Name1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine
PubChem CID174940034
Molecular FormulaC21H46N2O
Molecular Weight342.61 g/mol
Exact Mass342.36
IUPAC Name1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine
SMILESCC(O)CN.CCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C18H37N.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(5)2-4/h9-10H,2-8,11-19H2,1H3;3,5H,2,4H2,1H3/b10-9-;
InChIKeyIIINIHKGHZYPIA-KVVVOXFISA-N
XLogP5.31
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 55.31
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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Related Compounds

(Z)-triacont-9-en-1-amine
CID 139626552
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370
hexacos-7-en-1-amine
CID 54386716
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
1-aminopropan-2-ol;(Z)-octadec-9-enamide
CID 174925516
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718
hexadec-4-en-1-amine
CID 123939288

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine?
The IUPAC name of 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine (CID 174940034) is 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine.
What is the SMILES notation for 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine?
The canonical SMILES for 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine is CC(O)CN.CCCCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine?
The InChIKey is IIINIHKGHZYPIA-KVVVOXFISA-N. The full InChI is InChI=1S/C18H37N.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(5)2-4/h9-10H,2-8,11-19H2,1H3;3,5H,2,4H2,1H3/b10-9-;.
What are the key properties of 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine?
1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine has a molecular weight of 342.61 g/mol, XLogP of 5.31, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine is sourced from PubChem (CID 174940034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).