19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine

C60H103N — CID 123769379

IUPAC19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine
SMILES[H]/N=C/CCC(C)=C=CCCC(C)=CCCCCC(C)=CCCC(C)(C1CCC(C)CC1)C1CCC(C(CC)CC(C)CC(C)C(=CC=C(C)CCC2CCCCC2)CCC)C1
InChIInChI=1S/C60H103N/c1-11-23-56(37-33-50(6)32-36-54-30-17-14-18-31-54)53(9)44-52(8)45-55(12-2)57-38-41-59(46-57)60(10,58-39-34-51(7)35-40-58)42-21-28-48(4)25-16-13-15-24-47(3)26-19-20-27-49(5)29-22-43-61/h20,24,28,33,37,43,51-55,57-59,61H,11-19,21-23,25-26,29-32,34-36,38-42,44-46H2,1-10H3/b47-24?,48-28?,50-33?,56-37?,61-43+
InChIKeyQQJWBXULELOZFU-XMLLFCHGSA-N
MW838.49 g/mol
LogP19.89
Rot. Bonds29

About 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine

19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine (PubChem CID 123769379) has the molecular formula C60H103N and a molecular weight of 838.49 g/mol. Its IUPAC name is 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine.

Molecular Properties

Compound Name19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine
PubChem CID123769379
Molecular FormulaC60H103N
Molecular Weight838.49 g/mol
Exact Mass837.81
IUPAC Name19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine
SMILES[H]/N=C/CCC(C)=C=CCCC(C)=CCCCCC(C)=CCCC(C)(C1CCC(C)CC1)C1CCC(C(CC)CC(C)CC(C)C(=CC=C(C)CCC2CCCCC2)CCC)C1
InChIInChI=1S/C60H103N/c1-11-23-56(37-33-50(6)32-36-54-30-17-14-18-31-54)53(9)44-52(8)45-55(12-2)57-38-41-59(46-57)60(10,58-39-34-51(7)35-40-58)42-21-28-48(4)25-16-13-15-24-47(3)26-19-20-27-49(5)29-22-43-61/h20,24,28,33,37,43,51-55,57-59,61H,11-19,21-23,25-26,29-32,34-36,38-42,44-46H2,1-10H3/b47-24?,48-28?,50-33?,56-37?,61-43+
InChIKeyQQJWBXULELOZFU-XMLLFCHGSA-N
XLogP19.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.49
LogP ≤ 519.89
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine with MolForge

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Related Compounds

[1-[(2E,4E)-6-fluoro-5,6-dimethylhepta-2,4-dien-2-yl]-4-(4-methylcyclohexyl)cyclohexyl]methanimine
CID 153380788
[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine
CID 89408032
(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine
CID 131994387
(3S,5R)-4-tert-butyl-3-[[(1S,5R,6R)-5-[[(1R)-1-ethyl-2-prop-1-en-2-ylcycloprop-2-en-1-yl]methyl]-2,2,6-trimethylcyclohexyl]methyl]-4,5,6-trimethylhept-6-en-1-imine
CID 142408448
[(1R,2R,5S,6R,12Z,15S)-1,5,15-trimethyl-6-[(2R)-6-methylheptan-2-yl]-2-tricyclo[11.4.0.05,9]heptadec-12-enyl]methanimine
CID 145011815
2-cyclohexyl-3-(2,3-diethyl-2,3,4,5-tetrahydro-1H-inden-1-yl)propan-1-imine
CID 156524860
4-[2-(10-methyl-3-methylidene-2,6,7,8,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)cyclopropen-1-yl]pent-4-en-1-imine
CID 157026748

Frequently Asked Questions

What is the IUPAC name of 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine?
The IUPAC name of 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine (CID 123769379) is 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine.
What is the SMILES notation for 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine?
The canonical SMILES for 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine is [H]/N=C/CCC(C)=C=CCCC(C)=CCCCCC(C)=CCCC(C)(C1CCC(C)CC1)C1CCC(C(CC)CC(C)CC(C)C(=CC=C(C)CCC2CCCCC2)CCC)C1.
What is the InChIKey of 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine?
The InChIKey is QQJWBXULELOZFU-XMLLFCHGSA-N. The full InChI is InChI=1S/C60H103N/c1-11-23-56(37-33-50(6)32-36-54-30-17-14-18-31-54)53(9)44-52(8)45-55(12-2)57-38-41-59(46-57)60(10,58-39-34-51(7)35-40-58)42-21-28-48(4)25-16-13-15-24-47(3)26-19-20-27-49(5)29-22-43-61/h20,24,28,33,37,43,51-55,57-59,61H,11-19,21-23,25-26,29-32,34-36,38-42,44-46H2,1-10H3/b47-24?,48-28?,50-33?,56-37?,61-43+.
What are the key properties of 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine?
19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine has a molecular weight of 838.49 g/mol, XLogP of 19.89, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[3-(13-cyclohexyl-5,7,11-trimethyl-8-propyltrideca-8,10-dien-3-yl)cyclopentyl]-4,9,15-trimethyl-19-(4-methylcyclohexyl)icosa-4,5,9,15-tetraen-1-imine is sourced from PubChem (CID 123769379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).