ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine

C16H29N — CID 164902460

IUPACethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
SMILESC/C=C\C=C(CC)/C(CCC)=N/C=C\C.CC
InChIInChI=1S/C14H23N.C2H6/c1-5-9-11-13(8-4)14(10-6-2)15-12-7-3;1-2/h5,7,9,11-12H,6,8,10H2,1-4H3;1-2H3/b9-5-,12-7-,13-11-,15-14+;
InChIKeyLVRUVGNDWOQTJV-ZPXIXGIZSA-N
MW235.41 g/mol
LogP5.70
Rot. Bonds6

About ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine

ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine (PubChem CID 164902460) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine.

Molecular Properties

Compound Nameethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
PubChem CID164902460
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
SMILESC/C=C\C=C(CC)/C(CCC)=N/C=C\C.CC
InChIInChI=1S/C14H23N.C2H6/c1-5-9-11-13(8-4)14(10-6-2)15-12-7-3;1-2/h5,7,9,11-12H,6,8,10H2,1-4H3;1-2H3/b9-5-,12-7-,13-11-,15-14+;
InChIKeyLVRUVGNDWOQTJV-ZPXIXGIZSA-N
XLogP5.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888
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CID 144690491
2-propylhexa-2,4-dieneperoxoic acid
CID 173280763
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
N,N-dimethyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 170048230
(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
CID 139304214
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene
CID 142379539
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
CID 145294280

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
The IUPAC name of ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine (CID 164902460) is ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine.
What is the SMILES notation for ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
The canonical SMILES for ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine is C/C=C\C=C(CC)/C(CCC)=N/C=C\C.CC.
What is the InChIKey of ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
The InChIKey is LVRUVGNDWOQTJV-ZPXIXGIZSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-5-9-11-13(8-4)14(10-6-2)15-12-7-3;1-2/h5,7,9,11-12H,6,8,10H2,1-4H3;1-2H3/b9-5-,12-7-,13-11-,15-14+;.
What are the key properties of ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine has a molecular weight of 235.41 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine is sourced from PubChem (CID 164902460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).