(Z)-octadec-9-en-1-amine;zinc;hydrochloride

C18H38ClNZn — CID 130429718

IUPAC(Z)-octadec-9-en-1-amine;zinc;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN.Cl.[Zn]
InChIInChI=1S/C18H37N.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h9-10H,2-8,11-19H2,1H3;1H;/b10-9-;;
InChIKeySOILYRUSSZZSCB-XXAVUKJNSA-N
MW369.35 g/mol
LogP6.40
Rot. Bonds15

About (Z)-octadec-9-en-1-amine;zinc;hydrochloride

(Z)-octadec-9-en-1-amine;zinc;hydrochloride (PubChem CID 130429718) has the molecular formula C18H38ClNZn and a molecular weight of 369.35 g/mol. Its IUPAC name is (Z)-octadec-9-en-1-amine;zinc;hydrochloride.

Molecular Properties

Compound Name(Z)-octadec-9-en-1-amine;zinc;hydrochloride
PubChem CID130429718
Molecular FormulaC18H38ClNZn
Molecular Weight369.35 g/mol
Exact Mass367.20
IUPAC Name(Z)-octadec-9-en-1-amine;zinc;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN.Cl.[Zn]
InChIInChI=1S/C18H37N.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h9-10H,2-8,11-19H2,1H3;1H;/b10-9-;;
InChIKeySOILYRUSSZZSCB-XXAVUKJNSA-N
XLogP6.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
hexadec-4-en-1-amine
CID 123939288
(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-en-1-amine;zinc;hydrochloride?
The IUPAC name of (Z)-octadec-9-en-1-amine;zinc;hydrochloride (CID 130429718) is (Z)-octadec-9-en-1-amine;zinc;hydrochloride.
What is the SMILES notation for (Z)-octadec-9-en-1-amine;zinc;hydrochloride?
The canonical SMILES for (Z)-octadec-9-en-1-amine;zinc;hydrochloride is CCCCCCCC/C=C\CCCCCCCCN.Cl.[Zn].
What is the InChIKey of (Z)-octadec-9-en-1-amine;zinc;hydrochloride?
The InChIKey is SOILYRUSSZZSCB-XXAVUKJNSA-N. The full InChI is InChI=1S/C18H37N.ClH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h9-10H,2-8,11-19H2,1H3;1H;/b10-9-;;.
What are the key properties of (Z)-octadec-9-en-1-amine;zinc;hydrochloride?
(Z)-octadec-9-en-1-amine;zinc;hydrochloride has a molecular weight of 369.35 g/mol, XLogP of 6.40, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-en-1-amine;zinc;hydrochloride is sourced from PubChem (CID 130429718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).