ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine

C26H48N2 — CID 142044105

IUPACethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
SMILESC=C(CCC(/C=C\CC)=C/CC)C(CC/C=C\C)C(/C=N/C)NCCC.CC
InChIInChI=1S/C24H42N2.C2H6/c1-7-11-13-16-23(24(20-25-6)26-19-10-4)21(5)17-18-22(14-9-3)15-12-8-2;1-2/h7,11-12,14-15,20,23-24,26H,5,8-10,13,16-19H2,1-4,6H3;1-2H3/b11-7-,15-12-,22-14+,25-20+;
InChIKeyUJAOVEPMNNQINO-YYOVOFFPSA-N
MW388.68 g/mol
LogP7.69
Rot. Bonds15

About ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine

ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine (PubChem CID 142044105) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine.

Molecular Properties

Compound Nameethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
PubChem CID142044105
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC Nameethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
SMILESC=C(CCC(/C=C\CC)=C/CC)C(CC/C=C\C)C(/C=N/C)NCCC.CC
InChIInChI=1S/C24H42N2.C2H6/c1-7-11-13-16-23(24(20-25-6)26-19-10-4)21(5)17-18-22(14-9-3)15-12-8-2;1-2/h7,11-12,14-15,20,23-24,26H,5,8-10,13,16-19H2,1-4,6H3;1-2H3/b11-7-,15-12-,22-14+,25-20+;
InChIKeyUJAOVEPMNNQINO-YYOVOFFPSA-N
XLogP7.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 57.69
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'}

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Related Compounds

2-Ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
CID 123714233
1-cyclohexa-2,4-dien-1-yl-4-(3,3-dimethyl-2-methylidenepentyl)imino-3-fluoro-N-methylpentan-1-amine
CID 154993301
2-Ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
CID 167217054
5-Cycloundec-5-en-1-yl-1,4-diazacycloundec-11-ene
CID 70378160
N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine
CID 87646287
N-[(Z)-5-[3-[(1Z)-buta-1,3-dienyl]-4-[(1E,5E)-9-imino-4-methanimidoylnona-1,5-dienyl]-2-methylcyclohex-3-en-1-yl]-2-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)hex-2-enyl]cyclohexanamine
CID 88530086
N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine
CID 88530145
(Z,2Z)-1-N-[(4aR)-1,2,4a,5,6,8a-hexahydronaphthalen-2-yl]-2-[3-[4-[(E)-1,10-diamino-9-methyldec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-11-iminoundec-4-ene-1,7-diamine
CID 88933643
12-[4-(3-methylbutyl)-3,4-dihydropyridin-1-ium-1-yl]-N-[(Z,3Z)-6-methyl-3-prop-2-enylidenehept-1-enyl]dodecan-1-amine
CID 89108630
(Z,3Z)-N-[12-(4-octyl-3,4-dihydropyridin-1-ium-1-yl)dodecyl]-3-prop-2-enylideneundec-1-en-1-amine
CID 89108631
12-(4-butyl-3,4-dihydropyridin-1-ium-1-yl)-N-[(Z,3Z)-3-prop-2-enylidenehept-1-enyl]dodecan-1-amine
CID 89108632
12-(4-pentyl-3,4-dihydropyridin-1-ium-1-yl)-N-[(Z,3Z)-3-prop-2-enylideneoct-1-enyl]dodecan-1-amine
CID 89108633

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine?
The IUPAC name of ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine (CID 142044105) is ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine.
What is the SMILES notation for ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine?
The canonical SMILES for ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine is C=C(CCC(/C=C\CC)=C/CC)C(CC/C=C\C)C(/C=N/C)NCCC.CC.
What is the InChIKey of ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine?
The InChIKey is UJAOVEPMNNQINO-YYOVOFFPSA-N. The full InChI is InChI=1S/C24H42N2.C2H6/c1-7-11-13-16-23(24(20-25-6)26-19-10-4)21(5)17-18-22(14-9-3)15-12-8-2;1-2/h7,11-12,14-15,20,23-24,26H,5,8-10,13,16-19H2,1-4,6H3;1-2H3/b11-7-,15-12-,22-14+,25-20+;.
What are the key properties of ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine?
ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine has a molecular weight of 388.68 g/mol, XLogP of 7.69, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine is sourced from PubChem (CID 142044105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).