ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine

C39H70N2 — CID 142919844

IUPACethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
SMILESC=C(CN(CCC)CCC)C(/C=C(C)/C(=C/C)/N=C(\C)C/C=C\C(=C/C)CC)=C(C)C.CC.CCC1CCCCC1
InChIInChI=1S/C29H48N2.C8H16.C2H6/c1-11-19-31(20-12-2)22-25(9)28(23(6)7)21-24(8)29(15-5)30-26(10)17-16-18-27(13-3)14-4;1-2-8-6-4-3-5-7-8;1-2/h13,15-16,18,21H,9,11-12,14,17,19-20,22H2,1-8,10H3;8H,2-7H2,1H3;1-2H3/b18-16-,24-21+,27-13-,29-15-,30-26+;;
InChIKeyHVHRDDDXDYEPEE-MHKDUFQYSA-N
MW567.00 g/mol
LogP12.62
Rot. Bonds15

About ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine

ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine (PubChem CID 142919844) has the molecular formula C39H70N2 and a molecular weight of 567.00 g/mol. Its IUPAC name is ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine.

Molecular Properties

Compound Nameethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
PubChem CID142919844
Molecular FormulaC39H70N2
Molecular Weight567.00 g/mol
Exact Mass566.55
IUPAC Nameethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
SMILESC=C(CN(CCC)CCC)C(/C=C(C)/C(=C/C)/N=C(\C)C/C=C\C(=C/C)CC)=C(C)C.CC.CCC1CCCCC1
InChIInChI=1S/C29H48N2.C8H16.C2H6/c1-11-19-31(20-12-2)22-25(9)28(23(6)7)21-24(8)29(15-5)30-26(10)17-16-18-27(13-3)14-4;1-2-8-6-4-3-5-7-8;1-2/h13,15-16,18,21H,9,11-12,14,17,19-20,22H2,1-8,10H3;8H,2-7H2,1H3;1-2H3/b18-16-,24-21+,27-13-,29-15-,30-26+;;
InChIKeyHVHRDDDXDYEPEE-MHKDUFQYSA-N
XLogP12.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.00
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine with MolForge

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Related Compounds

N,N-diethyl-4-[6-[1-(4-heptylcyclohex-2-en-1-yl)ethylimino]-3-methylcyclohex-2-en-1-yl]but-1-en-2-amine
CID 91131011
N-[(1R)-cyclohexa-2,4-dien-1-yl]-N-[(1S,4R)-4-[(4S)-2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]-6-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridin-4-yl]cyclohex-2-en-1-yl]cyclohexa-1,3-dien-1-amine
CID 117809588
N-but-2-en-2-yl-N,7,12-trimethyl-3-[1-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethylidene]-4-prop-1-enylhexadeca-1,4,7,9,14-pentaen-8-amine
CID 123173713
[2,6-Dimethyl-4-[[4-[4-(4-methylnonan-2-ylideneamino)penta-1,3-dien-2-yl]cycloheptyl]methyl]hepta-3,5-dien-2-yl]-diethyl-methylazanium
CID 123626578
2,2-Diethyl-1-(5-ethylocta-2,6-dien-2-yl)-6-methyl-3,5-dimethylidene-4-prop-2-enylidenepyridin-1-ium
CID 123737759
(3E)-6-[(Z)-hex-4-enyl]-5-(5-methylhepta-5,6-dienyl)-3-[(2E)-2-(1-pyrrolidin-1-ylethenyl)penta-2,4-dienylidene]-2H-pyrazine
CID 129210584
N-ethyl-6-[6-[(E)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]heptan-1-amine
CID 135228935
(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine
CID 139420125
(3E,6Z)-8-cyclopropylidene-6-N-[(5Z,7E)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylnona-5,7-dien-4-ylidene]-5-N,3-dimethylnona-1,3,6-triene-5,6-diimine;(Z)-3,4-dimethyloct-4-ene
CID 142511132
(3E)-N,N-diethyl-3-methylpenta-1,3-dien-2-amine;ethane;2-[(3Z)-hexa-3,5-dien-3-yl]-1-methylcyclohexa-1,3-diene;4-methylheptane;N-methylmethanimine
CID 143393889
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
N-[2-[2-(azetidin-1-yl)ethyl]cyclohexa-1,5-dien-1-yl]-8-cyclopentyloctan-2-imine
CID 146208329

Frequently Asked Questions

What is the IUPAC name of ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
The IUPAC name of ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine (CID 142919844) is ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine.
What is the SMILES notation for ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
The canonical SMILES for ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine is C=C(CN(CCC)CCC)C(/C=C(C)/C(=C/C)/N=C(\C)C/C=C\C(=C/C)CC)=C(C)C.CC.CCC1CCCCC1.
What is the InChIKey of ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
The InChIKey is HVHRDDDXDYEPEE-MHKDUFQYSA-N. The full InChI is InChI=1S/C29H48N2.C8H16.C2H6/c1-11-19-31(20-12-2)22-25(9)28(23(6)7)21-24(8)29(15-5)30-26(10)17-16-18-27(13-3)14-4;1-2-8-6-4-3-5-7-8;1-2/h13,15-16,18,21H,9,11-12,14,17,19-20,22H2,1-8,10H3;8H,2-7H2,1H3;1-2H3/b18-16-,24-21+,27-13-,29-15-,30-26+;;.
What are the key properties of ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine?
ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine has a molecular weight of 567.00 g/mol, XLogP of 12.62, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine is sourced from PubChem (CID 142919844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).