(Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride

C24H52ClNO3Si — CID 173241581

IUPAC(Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN(CCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H51NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(23-7-2)29(26-3,27-4)28-5;/h14-15H,6-13,16-24H2,1-5H3;1H/b15-14-;
InChIKeyFGZZWEAPXJUIJV-BGWNKZQTSA-N
MW466.22 g/mol
LogP7.53
Rot. Bonds22

About (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride

(Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride (PubChem CID 173241581) has the molecular formula C24H52ClNO3Si and a molecular weight of 466.22 g/mol. Its IUPAC name is (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride
PubChem CID173241581
Molecular FormulaC24H52ClNO3Si
Molecular Weight466.22 g/mol
Exact Mass465.34
IUPAC Name(Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN(CCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H51NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(23-7-2)29(26-3,27-4)28-5;/h14-15H,6-13,16-24H2,1-5H3;1H/b15-14-;
InChIKeyFGZZWEAPXJUIJV-BGWNKZQTSA-N
XLogP7.53
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.22
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride
CID 173034322
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903
nonacos-6-ene
CID 25200821
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride?
The IUPAC name of (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride (CID 173241581) is (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride is CCCCCCCC/C=C\CCCCCCCCN(CCC)[Si](OC)(OC)OC.Cl.
What is the InChIKey of (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride?
The InChIKey is FGZZWEAPXJUIJV-BGWNKZQTSA-N. The full InChI is InChI=1S/C24H51NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(23-7-2)29(26-3,27-4)28-5;/h14-15H,6-13,16-24H2,1-5H3;1H/b15-14-;.
What are the key properties of (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride?
(Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride has a molecular weight of 466.22 g/mol, XLogP of 7.53, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride is sourced from PubChem (CID 173241581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).