N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine

C13H23N — CID 89186964

IUPACN-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(CC)CCC
InChIInChI=1S/C13H23N/c1-5-9-11-13(14-8-4)12(7-3)10-6-2/h5,8-9,11-12H,6-7,10H2,1-4H3/b9-5-,13-11-,14-8+
InChIKeyOWTIDIWMINGWDO-PVXZYECESA-N
MW193.33 g/mol
LogP4.36
Rot. Bonds6

About N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine

N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine (PubChem CID 89186964) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
PubChem CID89186964
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(CC)CCC
InChIInChI=1S/C13H23N/c1-5-9-11-13(14-8-4)12(7-3)10-6-2/h5,8-9,11-12H,6-7,10H2,1-4H3/b9-5-,13-11-,14-8+
InChIKeyOWTIDIWMINGWDO-PVXZYECESA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine?
The IUPAC name of N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine (CID 89186964) is N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine?
The canonical SMILES for N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine is C/C=C\C=C(/N=C/C)C(CC)CCC.
What is the InChIKey of N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine?
The InChIKey is OWTIDIWMINGWDO-PVXZYECESA-N. The full InChI is InChI=1S/C13H23N/c1-5-9-11-13(14-8-4)12(7-3)10-6-2/h5,8-9,11-12H,6-7,10H2,1-4H3/b9-5-,13-11-,14-8+.
What are the key properties of N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine?
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine has a molecular weight of 193.33 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine is sourced from PubChem (CID 89186964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).