ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine

C30H48N2 — CID 143721949

IUPACethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NC(=C)C(=C)CC(/C=C\C=C/C)=C(\C)C(/C=N/C)=C(C)C)CCCCC1.CC
InChIInChI=1S/C28H42N2.C2H6/c1-9-11-13-16-26(24(6)27(21-29-8)22(3)4)20-23(5)25(7)30-28(17-10-2)18-14-12-15-19-28;1-2/h9-11,13,16,21,30H,2,5,7,12,14-15,17-20H2,1,3-4,6,8H3;1-2H3/b11-9-,16-13-,26-24+,29-21+;
InChIKeyDJRNTAFJOUUBHF-WDWZNQNCSA-N
MW436.73 g/mol
LogP8.83
Rot. Bonds11

About ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine

ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine (PubChem CID 143721949) has the molecular formula C30H48N2 and a molecular weight of 436.73 g/mol. Its IUPAC name is ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine
PubChem CID143721949
Molecular FormulaC30H48N2
Molecular Weight436.73 g/mol
Exact Mass436.38
IUPAC Nameethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NC(=C)C(=C)CC(/C=C\C=C/C)=C(\C)C(/C=N/C)=C(C)C)CCCCC1.CC
InChIInChI=1S/C28H42N2.C2H6/c1-9-11-13-16-26(24(6)27(21-29-8)22(3)4)20-23(5)25(7)30-28(17-10-2)18-14-12-15-19-28;1-2/h9-11,13,16,21,30H,2,5,7,12,14-15,17-20H2,1,3-4,6,8H3;1-2H3/b11-9-,16-13-,26-24+,29-21+;
InChIKeyDJRNTAFJOUUBHF-WDWZNQNCSA-N
XLogP8.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine with MolForge

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Related Compounds

1-cyclohexyl-N-[(13E)-13-ethylidene-11-methyl-5-methylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-1-yl]methanimine
CID 68224474
N-(1-imino-2-methylpropan-2-yl)-4-pent-4-enylcyclohexa-1,3-dien-1-amine
CID 89718509
N-[2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethyl]-N-[4-[4-[(2E)-2-(propyliminomethyl)penta-2,4-dienylidene]cyclohexyl]butyl]thiohydroxylamine
CID 126659973
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine;ethane
CID 142402425
ethane;(5E)-6-[(4Z)-3-heptan-3-yl-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1H-pyrrol-2-yl]-N-methylhexa-2,5-dien-1-imine
CID 143111725
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane
CID 143604514
4-butyl-N-[(3Z)-hexa-3,5-dienyl]cyclohexan-1-amine;ethane;N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
CID 143683651
N-[1-[5-[(3E)-5-iminopenta-1,3-dien-3-yl]-4-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrrol-2-yl]ethenyl]-1-prop-2-enylcyclohexan-1-amine
CID 143722122
ethane;N-[(3E)-2-methanimidoyl-6-methylhepta-1,3,5-trien-3-yl]-4-methylcyclohexan-1-amine
CID 145652736
[5-[[[(4Z,6E)-6-amino-3-methylideneocta-4,6-dienyl]-methylamino]methyl]-2-methylcyclohexa-2,4-dien-1-yl]methylidene-diethylazanium
CID 163249315
(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine
CID 167169105
N-[(2Z,4E)-5-(methyliminomethyl)undeca-2,4-dien-4-yl]pentadecan-8-amine
CID 169632175

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine?
The IUPAC name of ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine (CID 143721949) is ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine is C=CCC1(NC(=C)C(=C)CC(/C=C\C=C/C)=C(\C)C(/C=N/C)=C(C)C)CCCCC1.CC.
What is the InChIKey of ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine?
The InChIKey is DJRNTAFJOUUBHF-WDWZNQNCSA-N. The full InChI is InChI=1S/C28H42N2.C2H6/c1-9-11-13-16-26(24(6)27(21-29-8)22(3)4)20-23(5)25(7)30-28(17-10-2)18-14-12-15-19-28;1-2/h9-11,13,16,21,30H,2,5,7,12,14-15,17-20H2,1,3-4,6,8H3;1-2H3/b11-9-,16-13-,26-24+,29-21+;.
What are the key properties of ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine?
ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine has a molecular weight of 436.73 g/mol, XLogP of 8.83, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 143721949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).