N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine

C10H15N — CID 118567334

IUPACN-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine
SMILESC=C(/C=C\C=C/CC)/N=C/C
InChIInChI=1S/C10H15N/c1-4-6-7-8-9-10(3)11-5-2/h5-9H,3-4H2,1-2H3/b7-6-,9-8-,11-5+
InChIKeyXPPJBDYFROJWMV-TXQBGFHRSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds4

About N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine

N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine (PubChem CID 118567334) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine
PubChem CID118567334
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine
SMILESC=C(/C=C\C=C/CC)/N=C/C
InChIInChI=1S/C10H15N/c1-4-6-7-8-9-10(3)11-5-2/h5-9H,3-4H2,1-2H3/b7-6-,9-8-,11-5+
InChIKeyXPPJBDYFROJWMV-TXQBGFHRSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine?
The IUPAC name of N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine (CID 118567334) is N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine.
What is the SMILES notation for N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine?
The canonical SMILES for N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine is C=C(/C=C\C=C/CC)/N=C/C.
What is the InChIKey of N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine?
The InChIKey is XPPJBDYFROJWMV-TXQBGFHRSA-N. The full InChI is InChI=1S/C10H15N/c1-4-6-7-8-9-10(3)11-5-2/h5-9H,3-4H2,1-2H3/b7-6-,9-8-,11-5+.
What are the key properties of N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine?
N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine is sourced from PubChem (CID 118567334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).