N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine

C11H19N — CID 123306984

IUPACN-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine
SMILESC/C=C(/C=C\CCC)N=C(C)C
InChIInChI=1S/C11H19N/c1-5-7-8-9-11(6-2)12-10(3)4/h6,8-9H,5,7H2,1-4H3/b9-8-,11-6-
InChIKeyYSXMXLJOYLURSI-WSXQFLIHSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine

N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine (PubChem CID 123306984) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine
PubChem CID123306984
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine
SMILESC/C=C(/C=C\CCC)N=C(C)C
InChIInChI=1S/C11H19N/c1-5-7-8-9-11(6-2)12-10(3)4/h6,8-9H,5,7H2,1-4H3/b9-8-,11-6-
InChIKeyYSXMXLJOYLURSI-WSXQFLIHSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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'}

Analyze N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine with MolForge

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Related Compounds

2,7-dimethyl-3H-azepine
CID 21672375
2-Methyl-5-methylidenepyrrole
CID 15825887
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine
CID 143736303
2-Methyl-3,6-dimethylidenepyridine
CID 70499080
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325
(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
CID 88576597
N-[(3Z)-hexa-1,3-dien-2-yl]propan-2-imine
CID 88874599
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-3-methylbut-3-en-2-imine
CID 88948199
(4E,6Z)-4-(propan-2-ylideneamino)nona-4,6,8-triene-2-thione
CID 88985577
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine
CID 89121716
(6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine
CID 89170402

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine?
The IUPAC name of N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine (CID 123306984) is N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine?
The canonical SMILES for N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine is C/C=C(/C=C\CCC)N=C(C)C.
What is the InChIKey of N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine?
The InChIKey is YSXMXLJOYLURSI-WSXQFLIHSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-8-9-11(6-2)12-10(3)4/h6,8-9H,5,7H2,1-4H3/b9-8-,11-6-.
What are the key properties of N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine?
N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine is sourced from PubChem (CID 123306984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).