6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine

C28H48N2 — CID 142189215

IUPAC6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine
SMILESC.C=C(CCN=C(C)C)/C(C)=N/C=C\C.CC1=CC(CCC2CCCCC2)CC=C1
InChIInChI=1S/C15H24.C12H20N2.CH4/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14;1-6-8-14-12(5)11(4)7-9-13-10(2)3;/h5-6,12,14-15H,2-4,7-11H2,1H3;6,8H,4,7,9H2,1-3,5H3;1H4/b;8-6-,14-12+;
InChIKeyJLQPAMXMHVHFKS-KYHPWJCQSA-N
MW412.71 g/mol
LogP8.91
Rot. Bonds8

About 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine

6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine (PubChem CID 142189215) has the molecular formula C28H48N2 and a molecular weight of 412.71 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine
PubChem CID142189215
Molecular FormulaC28H48N2
Molecular Weight412.71 g/mol
Exact Mass412.38
IUPAC Name6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine
SMILESC.C=C(CCN=C(C)C)/C(C)=N/C=C\C.CC1=CC(CCC2CCCCC2)CC=C1
InChIInChI=1S/C15H24.C12H20N2.CH4/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14;1-6-8-14-12(5)11(4)7-9-13-10(2)3;/h5-6,12,14-15H,2-4,7-11H2,1H3;6,8H,4,7,9H2,1-3,5H3;1H4/b;8-6-,14-12+;
InChIKeyJLQPAMXMHVHFKS-KYHPWJCQSA-N
XLogP8.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine with MolForge

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Related Compounds

[(4E,5Z)-4-ethylidene-7-methyl-3-methylideneocta-5,7-dienyl]cyclohexane;5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
CID 143484811
8,9,10,11-Tetrahydro-7h-7,11-propanonaphtho-[1,8-bc][1,5]diazocine
CID 155387797
N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine
CID 57009148
methylcyclohexane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57831671
7-Methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline
CID 70832201
(2Z)-1-[(4aE)-4-[(Z)-1-(prop-2-enylideneamino)prop-1-enyl]-6,7,8,9,10,10a-hexahydrocycloocta[d]pyridazin-1-yl]-N-methylpenta-2,4-dien-1-imine
CID 90183122
6,6-Diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
CID 90882917
1-Methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
CID 91269631
9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
CID 91340343
(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine
CID 91475179
4-Hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
CID 123287010
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine?
The IUPAC name of 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine (CID 142189215) is 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine.
What is the SMILES notation for 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine?
The canonical SMILES for 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine is C.C=C(CCN=C(C)C)/C(C)=N/C=C\C.CC1=CC(CCC2CCCCC2)CC=C1.
What is the InChIKey of 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine?
The InChIKey is JLQPAMXMHVHFKS-KYHPWJCQSA-N. The full InChI is InChI=1S/C15H24.C12H20N2.CH4/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14;1-6-8-14-12(5)11(4)7-9-13-10(2)3;/h5-6,12,14-15H,2-4,7-11H2,1H3;6,8H,4,7,9H2,1-3,5H3;1H4/b;8-6-,14-12+;.
What are the key properties of 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine?
6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine has a molecular weight of 412.71 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine is sourced from PubChem (CID 142189215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).