N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine

C12H21N — CID 138567807

IUPACN-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine
SMILESC=N/C(=C/C(=C\C)CC(C)C)CC
InChIInChI=1S/C12H21N/c1-6-11(8-10(3)4)9-12(7-2)13-5/h6,9-10H,5,7-8H2,1-4H3/b11-6-,12-9+
InChIKeyFINGAEDUZSOJCK-PPTLUXDQSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds5

About N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine

N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine (PubChem CID 138567807) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine
PubChem CID138567807
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine
SMILESC=N/C(=C/C(=C\C)CC(C)C)CC
InChIInChI=1S/C12H21N/c1-6-11(8-10(3)4)9-12(7-2)13-5/h6,9-10H,5,7-8H2,1-4H3/b11-6-,12-9+
InChIKeyFINGAEDUZSOJCK-PPTLUXDQSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
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-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine?
The IUPAC name of N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine (CID 138567807) is N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine.
What is the SMILES notation for N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine?
The canonical SMILES for N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine is C=N/C(=C/C(=C\C)CC(C)C)CC.
What is the InChIKey of N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine?
The InChIKey is FINGAEDUZSOJCK-PPTLUXDQSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11(8-10(3)4)9-12(7-2)13-5/h6,9-10H,5,7-8H2,1-4H3/b11-6-,12-9+.
What are the key properties of N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine?
N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine is sourced from PubChem (CID 138567807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).