N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine

C11H19N — CID 135141119

IUPACN-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(C)CC
InChIInChI=1S/C11H19N/c1-5-8-9-11(12-7-3)10(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9-,12-7+
InChIKeySZLQNGBKIUCMOZ-VRDSJDFMSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds4

About N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine

N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine (PubChem CID 135141119) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine
PubChem CID135141119
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(C)CC
InChIInChI=1S/C11H19N/c1-5-8-9-11(12-7-3)10(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9-,12-7+
InChIKeySZLQNGBKIUCMOZ-VRDSJDFMSA-N
XLogP3.58
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 ≤ 53.58
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-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine?
The IUPAC name of N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine (CID 135141119) is N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine.
What is the SMILES notation for N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine?
The canonical SMILES for N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine is C/C=C\C=C(/N=C/C)C(C)CC.
What is the InChIKey of N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine?
The InChIKey is SZLQNGBKIUCMOZ-VRDSJDFMSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-9-11(12-7-3)10(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9-,12-7+.
What are the key properties of N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine?
N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-3-methylocta-4,6-dien-4-yl]ethanimine is sourced from PubChem (CID 135141119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).