(4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine

C16H25N — CID 155108594

IUPAC(4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine
SMILESC/C=C\CC(/C=C\C=C/CC)/C(C)=N/C=C\C
InChIInChI=1S/C16H25N/c1-5-8-10-11-13-16(12-9-6-2)15(4)17-14-7-3/h6-11,13-14,16H,5,12H2,1-4H3/b9-6-,10-8-,13-11-,14-7-,17-15+
InChIKeyRTQYVTPGRJJKOW-IGSUCZEHSA-N
MW231.38 g/mol
LogP5.09
Rot. Bonds7

About (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine

(4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine (PubChem CID 155108594) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine
PubChem CID155108594
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine
SMILESC/C=C\CC(/C=C\C=C/CC)/C(C)=N/C=C\C
InChIInChI=1S/C16H25N/c1-5-8-10-11-13-16(12-9-6-2)15(4)17-14-7-3/h6-11,13-14,16H,5,12H2,1-4H3/b9-6-,10-8-,13-11-,14-7-,17-15+
InChIKeyRTQYVTPGRJJKOW-IGSUCZEHSA-N
XLogP5.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.09
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'}

Analyze (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine with MolForge

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Related Compounds

ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
CID 145278225
octa-3,5-dien-2-ol
CID 543636
(5E)-octa-3,5-diene
CID 173104147
2-hexa-1,3-dienylbutanedioic acid
CID 162517769
N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal
CID 88953533
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
N-[(1E,3Z)-6-methylocta-1,3-dienyl]propan-2-imine
CID 134526770
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
nitrous acid;pent-2-ene
CID 87504144

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine?
The IUPAC name of (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine (CID 155108594) is (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine.
What is the SMILES notation for (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine?
The canonical SMILES for (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine is C/C=C\CC(/C=C\C=C/CC)/C(C)=N/C=C\C.
What is the InChIKey of (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine?
The InChIKey is RTQYVTPGRJJKOW-IGSUCZEHSA-N. The full InChI is InChI=1S/C16H25N/c1-5-8-10-11-13-16(12-9-6-2)15(4)17-14-7-3/h6-11,13-14,16H,5,12H2,1-4H3/b9-6-,10-8-,13-11-,14-7-,17-15+.
What are the key properties of (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine?
(4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine has a molecular weight of 231.38 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine is sourced from PubChem (CID 155108594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).