(Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine

C24H38N2 — CID 126735538

IUPAC(Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine
SMILESC=C/C(=C\C)C1C=C(CC)C(C(=C)NC(CN)CC(/C=C\C)CC)=CC1
InChIInChI=1S/C24H38N2/c1-7-12-19(8-2)15-23(17-25)26-18(6)24-14-13-22(16-21(24)11-5)20(9-3)10-4/h7,9-10,12,14,16,19,22-23,26H,3,6,8,11,13,15,17,25H2,1-2,4-5H3/b12-7-,20-10+
InChIKeyPNHBHNWJXVEEGS-YHCUMPAJSA-N
MW354.58 g/mol
LogP5.82
Rot. Bonds11

About (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine

(Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine (PubChem CID 126735538) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine
PubChem CID126735538
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name(Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine
SMILESC=C/C(=C\C)C1C=C(CC)C(C(=C)NC(CN)CC(/C=C\C)CC)=CC1
InChIInChI=1S/C24H38N2/c1-7-12-19(8-2)15-23(17-25)26-18(6)24-14-13-22(16-21(24)11-5)20(9-3)10-4/h7,9-10,12,14,16,19,22-23,26H,3,6,8,11,13,15,17,25H2,1-2,4-5H3/b12-7-,20-10+
InChIKeyPNHBHNWJXVEEGS-YHCUMPAJSA-N
XLogP5.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine with MolForge

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
1-[6-(1,3-diamino-4,4,4-trifluorobutyl)-4-(3-ethylheptyl)-1,2-dihydropyridin-2-yl]-4,4,4-trifluoro-1-N-methylbutane-1,3-diamine
CID 129044700
3-N-(4,4-dimethylpent-1-en-2-yl)-2-N-[(2Z,4Z,8Z,9E)-3-fluoro-10-methyl-6-methylidene-5-prop-1-en-2-yl-8-prop-2-enylidenepentadeca-2,4,9-trien-2-yl]-4-methylhexane-2,3-diamine
CID 134187748
(4Z,6E)-7-N-[(3Z,5E)-5-(4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-yl)octa-3,5-dien-2-yl]-1-N-methyldeca-4,6,9-triene-1,2,7-triamine
CID 134478962
2-[(5-Fluorocyclohexa-2,4-dien-1-yl)methyl]-3-methylidenepiperazine
CID 144056501
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
CID 155204879
N-[(3Z)-6-ethyl-4-[(E)-4-fluoro-4-methylpent-2-en-3-yl]octa-1,3-dien-2-yl]cyclohexanamine
CID 156099488
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
N-[1-[5-(2,2-difluoroethyl)cyclohexa-2,4-dien-1-yl]ethenyl]-2-methylhex-1-en-3-amine
CID 166734820

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine?
The IUPAC name of (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine (CID 126735538) is (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine.
What is the SMILES notation for (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine?
The canonical SMILES for (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine is C=C/C(=C\C)C1C=C(CC)C(C(=C)NC(CN)CC(/C=C\C)CC)=CC1.
What is the InChIKey of (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine?
The InChIKey is PNHBHNWJXVEEGS-YHCUMPAJSA-N. The full InChI is InChI=1S/C24H38N2/c1-7-12-19(8-2)15-23(17-25)26-18(6)24-14-13-22(16-21(24)11-5)20(9-3)10-4/h7,9-10,12,14,16,19,22-23,26H,3,6,8,11,13,15,17,25H2,1-2,4-5H3/b12-7-,20-10+.
What are the key properties of (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine?
(Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine has a molecular weight of 354.58 g/mol, XLogP of 5.82, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-2-N-[1-[6-ethyl-4-[(3E)-penta-1,3-dien-3-yl]cyclohexa-1,5-dien-1-yl]ethenyl]hept-5-ene-1,2-diamine is sourced from PubChem (CID 126735538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).