(Z)-octadec-9-enoic acid;tetradecan-1-amine

C32H65NO2 — CID 173122543

IUPAC(Z)-octadec-9-enoic acid;tetradecan-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCCCCN
InChIInChI=1S/C18H34O2.C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-15H2,1H3/b10-9-;
InChIKeyIVWIKQVYYATUCE-KVVVOXFISA-N
MW495.88 g/mol
LogP10.75
Rot. Bonds27

About (Z)-octadec-9-enoic acid;tetradecan-1-amine

(Z)-octadec-9-enoic acid;tetradecan-1-amine (PubChem CID 173122543) has the molecular formula C32H65NO2 and a molecular weight of 495.88 g/mol. Its IUPAC name is (Z)-octadec-9-enoic acid;tetradecan-1-amine.

Molecular Properties

Compound Name(Z)-octadec-9-enoic acid;tetradecan-1-amine
PubChem CID173122543
Molecular FormulaC32H65NO2
Molecular Weight495.88 g/mol
Exact Mass495.50
IUPAC Name(Z)-octadec-9-enoic acid;tetradecan-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCCCCN
InChIInChI=1S/C18H34O2.C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-15H2,1H3/b10-9-;
InChIKeyIVWIKQVYYATUCE-KVVVOXFISA-N
XLogP10.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 510.75
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'}

Analyze (Z)-octadec-9-enoic acid;tetradecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecan-1-amine;octadec-9-enoic acid
CID 71446756
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
bis(octadec-9-enoic acid);propane-1,3-diamine
CID 173374697
tris(2-aminoethanol);(Z)-octadec-9-enoic acid
CID 158956613
(E)-octadec-8-enoic acid
CID 5282758
(Z)-icos-10-enoic acid
CID 14513469
(Z)-hexadec-6-enoic acid;bis((Z)-hexadec-9-enoic acid)
CID 87285116
docosa-7,15-dienoic acid
CID 71359760
heptacos-7-enoic acid
CID 169277112
(Z)-(1,2,3,7,8-13C5)octadec-9-enoic acid
CID 117064632
(Z)-16-aminohexadec-11-enoic acid
CID 89054374
(E)-hexadec-8-enoic acid
CID 6430788

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enoic acid;tetradecan-1-amine?
The IUPAC name of (Z)-octadec-9-enoic acid;tetradecan-1-amine (CID 173122543) is (Z)-octadec-9-enoic acid;tetradecan-1-amine.
What is the SMILES notation for (Z)-octadec-9-enoic acid;tetradecan-1-amine?
The canonical SMILES for (Z)-octadec-9-enoic acid;tetradecan-1-amine is CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCCCCN.
What is the InChIKey of (Z)-octadec-9-enoic acid;tetradecan-1-amine?
The InChIKey is IVWIKQVYYATUCE-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-15H2,1H3/b10-9-;.
What are the key properties of (Z)-octadec-9-enoic acid;tetradecan-1-amine?
(Z)-octadec-9-enoic acid;tetradecan-1-amine has a molecular weight of 495.88 g/mol, XLogP of 10.75, 27 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enoic acid;tetradecan-1-amine is sourced from PubChem (CID 173122543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).