(Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane

C19H33NS — CID 142092269

IUPAC(Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane
SMILESC/C=C\C(=C/C)CS/C=C(\N)C1=CCCC=C1.CC.CC
InChIInChI=1S/C15H21NS.2C2H6/c1-3-8-13(4-2)11-17-12-15(16)14-9-6-5-7-10-14;2*1-2/h3-4,6,8-10,12H,5,7,11,16H2,1-2H3;2*1-2H3/b8-3-,13-4+,15-12-;;
InChIKeyIEXQPTAIQBHEAE-TVKWLGKSSA-N
MW307.55 g/mol
LogP6.37
Rot. Bonds5

About (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane

(Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane (PubChem CID 142092269) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane.

Molecular Properties

Compound Name(Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane
PubChem CID142092269
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name(Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane
SMILESC/C=C\C(=C/C)CS/C=C(\N)C1=CCCC=C1.CC.CC
InChIInChI=1S/C15H21NS.2C2H6/c1-3-8-13(4-2)11-17-12-15(16)14-9-6-5-7-10-14;2*1-2/h3-4,6,8-10,12H,5,7,11,16H2,1-2H3;2*1-2H3/b8-3-,13-4+,15-12-;;
InChIKeyIEXQPTAIQBHEAE-TVKWLGKSSA-N
XLogP6.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane?
The IUPAC name of (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane (CID 142092269) is (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane.
What is the SMILES notation for (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane?
The canonical SMILES for (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane is C/C=C\C(=C/C)CS/C=C(\N)C1=CCCC=C1.CC.CC.
What is the InChIKey of (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane?
The InChIKey is IEXQPTAIQBHEAE-TVKWLGKSSA-N. The full InChI is InChI=1S/C15H21NS.2C2H6/c1-3-8-13(4-2)11-17-12-15(16)14-9-6-5-7-10-14;2*1-2/h3-4,6,8-10,12H,5,7,11,16H2,1-2H3;2*1-2H3/b8-3-,13-4+,15-12-;;.
What are the key properties of (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane?
(Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane has a molecular weight of 307.55 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexa-1,5-dien-1-yl-2-[(Z,2E)-2-ethylidenepent-3-enyl]sulfanylethenamine;ethane is sourced from PubChem (CID 142092269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).