N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine

C11H15N — CID 153398370

IUPACN-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
SMILESC=CC(C=C)=C(/C=C\CC)N=C
InChIInChI=1S/C11H15N/c1-5-8-9-11(12-4)10(6-2)7-3/h6-9H,2-5H2,1H3/b9-8-
InChIKeyTXXWRSPQZTVKSM-HJWRWDBZSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds5

About N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine

N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine (PubChem CID 153398370) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
PubChem CID153398370
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
SMILESC=CC(C=C)=C(/C=C\CC)N=C
InChIInChI=1S/C11H15N/c1-5-8-9-11(12-4)10(6-2)7-3/h6-9H,2-5H2,1H3/b9-8-
InChIKeyTXXWRSPQZTVKSM-HJWRWDBZSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
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-ethenyl-3-ethylocta-3,5-diene
CID 91004805
N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
CID 165151838
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446
(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
CID 88957230
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid
CID 142315455
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556
(2E)-3-fluorohepta-2,4-diene
CID 143797404

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine?
The IUPAC name of N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine (CID 153398370) is N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine.
What is the SMILES notation for N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine?
The canonical SMILES for N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine is C=CC(C=C)=C(/C=C\CC)N=C.
What is the InChIKey of N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine?
The InChIKey is TXXWRSPQZTVKSM-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H15N/c1-5-8-9-11(12-4)10(6-2)7-3/h6-9H,2-5H2,1H3/b9-8-.
What are the key properties of N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine?
N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine has a molecular weight of 161.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine is sourced from PubChem (CID 153398370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).