(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen

C30H48N2 — CID 143621274

IUPAC(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen
SMILESC/C=C\C=C/CCCCC/N=C(\C=C/CC)C1=CC(C)CC=C1.C=C/C(=C\C=C/N)CC.[H][H]
InChIInChI=1S/C22H33N.C8H13N.H2/c1-4-6-8-9-10-11-12-13-18-23-22(17-7-5-2)21-16-14-15-20(3)19-21;1-3-8(4-2)6-5-7-9;/h4,6-9,14,16-17,19-20H,5,10-13,15,18H2,1-3H3;3,5-7H,1,4,9H2,2H3;1H/b6-4-,9-8-,17-7-,23-22+;7-5-,8-6+;
InChIKeyDAKONQMEVJIBMC-QBICCASKSA-N
MW436.73 g/mol
LogP8.84
Rot. Bonds13

About (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen

(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen (PubChem CID 143621274) has the molecular formula C30H48N2 and a molecular weight of 436.73 g/mol. Its IUPAC name is (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen
PubChem CID143621274
Molecular FormulaC30H48N2
Molecular Weight436.73 g/mol
Exact Mass436.38
IUPAC Name(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen
SMILESC/C=C\C=C/CCCCC/N=C(\C=C/CC)C1=CC(C)CC=C1.C=C/C(=C\C=C/N)CC.[H][H]
InChIInChI=1S/C22H33N.C8H13N.H2/c1-4-6-8-9-10-11-12-13-18-23-22(17-7-5-2)21-16-14-15-20(3)19-21;1-3-8(4-2)6-5-7-9;/h4,6-9,14,16-17,19-20H,5,10-13,15,18H2,1-3H3;3,5-7H,1,4,9H2,2H3;1H/b6-4-,9-8-,17-7-,23-22+;7-5-,8-6+;
InChIKeyDAKONQMEVJIBMC-QBICCASKSA-N
XLogP8.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen with MolForge

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Related Compounds

[3-(2-methylpropylidene)-4H-pyridin-2-yl]methanamine
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(3-butylidene-4H-pyridin-2-yl)methanamine
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(1Z,3E)-4-(2H-azirin-3-yl)-5-methylhexa-1,3,5-trien-1-amine
CID 89089082
(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
CID 89188331
(3E,7E)-5-N-[4-(3,4-dimethyl-4H-pyridin-1-yl)but-2-en-2-yl]-7-ethyldodeca-3,7,10-triene-5,6-diimine
CID 123207993
(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine
CID 123920861
(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine
CID 130256409
(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
CID 130442162
(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
CID 134525287
(Z)-2-[[(3E,4E)-5-tert-butyl-3-prop-2-enylidenehepta-4,6-dien-2-ylidene]amino]-3,3-dimethylbut-1-en-1-amine
CID 139315495
Ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine
CID 142055548
ethane;(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine
CID 142076091

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen?
The IUPAC name of (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen (CID 143621274) is (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen.
What is the SMILES notation for (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen?
The canonical SMILES for (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen is C/C=C\C=C/CCCCC/N=C(\C=C/CC)C1=CC(C)CC=C1.C=C/C(=C\C=C/N)CC.[H][H].
What is the InChIKey of (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen?
The InChIKey is DAKONQMEVJIBMC-QBICCASKSA-N. The full InChI is InChI=1S/C22H33N.C8H13N.H2/c1-4-6-8-9-10-11-12-13-18-23-22(17-7-5-2)21-16-14-15-20(3)19-21;1-3-8(4-2)6-5-7-9;/h4,6-9,14,16-17,19-20H,5,10-13,15,18H2,1-3H3;3,5-7H,1,4,9H2,2H3;1H/b6-4-,9-8-,17-7-,23-22+;7-5-,8-6+;.
What are the key properties of (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen?
(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen has a molecular weight of 436.73 g/mol, XLogP of 8.84, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen is sourced from PubChem (CID 143621274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).