1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine

C68H133N — CID 123254792

IUPAC1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCC=C(CCCCCCCCCC)CCCCCCCCCCC)CC(C)CC(C)/C(=N/CCCCCC(C)CC)C1CC1
InChIInChI=1S/C68H133N/c1-8-12-15-18-21-24-25-26-27-28-29-30-32-35-41-48-55-66(61-63(6)60-64(7)68(67-57-58-67)69-59-50-43-44-51-62(5)11-4)56-49-42-37-36-40-47-54-65(52-45-38-33-23-20-17-14-10-3)53-46-39-34-31-22-19-16-13-9-2/h54,62-64,66-67H,8-53,55-61H2,1-7H3/b65-54?,69-68-
InChIKeyMNVLDMHVLQEDQB-XXENEOKFSA-N
MW964.82 g/mol
LogP24.87
Rot. Bonds57

About 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine

1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine (PubChem CID 123254792) has the molecular formula C68H133N and a molecular weight of 964.82 g/mol. Its IUPAC name is 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine
PubChem CID123254792
Molecular FormulaC68H133N
Molecular Weight964.82 g/mol
Exact Mass964.04
IUPAC Name1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCC=C(CCCCCCCCCC)CCCCCCCCCCC)CC(C)CC(C)/C(=N/CCCCCC(C)CC)C1CC1
InChIInChI=1S/C68H133N/c1-8-12-15-18-21-24-25-26-27-28-29-30-32-35-41-48-55-66(61-63(6)60-64(7)68(67-57-58-67)69-59-50-43-44-51-62(5)11-4)56-49-42-37-36-40-47-54-65(52-45-38-33-23-20-17-14-10-3)53-46-39-34-31-22-19-16-13-9-2/h54,62-64,66-67H,8-53,55-61H2,1-7H3/b65-54?,69-68-
InChIKeyMNVLDMHVLQEDQB-XXENEOKFSA-N
XLogP24.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds57
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.82
LogP ≤ 524.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine with MolForge

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Related Compounds

Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
CID 118018671
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
5-methyl-N-octadec-9-enylhexan-2-imine
CID 54431641

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine?
The IUPAC name of 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine (CID 123254792) is 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine?
The canonical SMILES for 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine is CCCCCCCCCCCCCCCCCCC(CCCCCCCC=C(CCCCCCCCCC)CCCCCCCCCCC)CC(C)CC(C)/C(=N/CCCCCC(C)CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine?
The InChIKey is MNVLDMHVLQEDQB-XXENEOKFSA-N. The full InChI is InChI=1S/C68H133N/c1-8-12-15-18-21-24-25-26-27-28-29-30-32-35-41-48-55-66(61-63(6)60-64(7)68(67-57-58-67)69-59-50-43-44-51-62(5)11-4)56-49-42-37-36-40-47-54-65(52-45-38-33-23-20-17-14-10-3)53-46-39-34-31-22-19-16-13-9-2/h54,62-64,66-67H,8-53,55-61H2,1-7H3/b65-54?,69-68-.
What are the key properties of 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine?
1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine has a molecular weight of 964.82 g/mol, XLogP of 24.87, 57 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-15-decyl-2,4-dimethyl-N-(6-methyloctyl)-6-octadecylhexacos-14-en-1-imine is sourced from PubChem (CID 123254792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).