ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine

C25H47N — CID 145042712

IUPACethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine
SMILESC=C/C=C\C(=C/C(C)C)CC/N=C/C(=C/C)CCC=C.CC.CC.CC
InChIInChI=1S/C19H29N.3C2H6/c1-6-9-11-18(8-3)16-20-14-13-19(12-10-7-2)15-17(4)5;3*1-2/h6-8,10,12,15-17H,1-2,9,11,13-14H2,3-5H3;3*1-2H3/b12-10-,18-8+,19-15+,20-16+;;;
InChIKeyGKZMWKPLDNNTOI-ZJCZYSPJSA-N
MW361.66 g/mol
LogP8.76
Rot. Bonds10

About ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine

ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine (PubChem CID 145042712) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine.

Molecular Properties

Compound Nameethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine
PubChem CID145042712
Molecular FormulaC25H47N
Molecular Weight361.66 g/mol
Exact Mass361.37
IUPAC Nameethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine
SMILESC=C/C=C\C(=C/C(C)C)CC/N=C/C(=C/C)CCC=C.CC.CC.CC
InChIInChI=1S/C19H29N.3C2H6/c1-6-9-11-18(8-3)16-20-14-13-19(12-10-7-2)15-17(4)5;3*1-2/h6-8,10,12,15-17H,1-2,9,11,13-14H2,3-5H3;3*1-2H3/b12-10-,18-8+,19-15+,20-16+;;;
InChIKeyGKZMWKPLDNNTOI-ZJCZYSPJSA-N
XLogP8.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.66
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine?
The IUPAC name of ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine (CID 145042712) is ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine.
What is the SMILES notation for ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine?
The canonical SMILES for ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine is C=C/C=C\C(=C/C(C)C)CC/N=C/C(=C/C)CCC=C.CC.CC.CC.
What is the InChIKey of ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine?
The InChIKey is GKZMWKPLDNNTOI-ZJCZYSPJSA-N. The full InChI is InChI=1S/C19H29N.3C2H6/c1-6-9-11-18(8-3)16-20-14-13-19(12-10-7-2)15-17(4)5;3*1-2/h6-8,10,12,15-17H,1-2,9,11,13-14H2,3-5H3;3*1-2H3/b12-10-,18-8+,19-15+,20-16+;;;.
What are the key properties of ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine?
ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine has a molecular weight of 361.66 g/mol, XLogP of 8.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethylidene-N-[(3Z,4Z)-3-(2-methylpropylidene)hepta-4,6-dienyl]hex-5-en-1-imine is sourced from PubChem (CID 145042712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).