N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine

C11H17N — CID 89260091

IUPACN-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine
SMILESC=C/C=C(/C)CCC(C=C)N=C
InChIInChI=1S/C11H17N/c1-5-7-10(3)8-9-11(6-2)12-4/h5-7,11H,1-2,4,8-9H2,3H3/b10-7-
InChIKeyXRUDYMKOQXYDDO-YFHOEESVSA-N
MW163.26 g/mol
LogP3.15
Rot. Bonds6

About N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine

N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine (PubChem CID 89260091) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine
PubChem CID89260091
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine
SMILESC=C/C=C(/C)CCC(C=C)N=C
InChIInChI=1S/C11H17N/c1-5-7-10(3)8-9-11(6-2)12-4/h5-7,11H,1-2,4,8-9H2,3H3/b10-7-
InChIKeyXRUDYMKOQXYDDO-YFHOEESVSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine?
The IUPAC name of N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine (CID 89260091) is N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine.
What is the SMILES notation for N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine?
The canonical SMILES for N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine is C=C/C=C(/C)CCC(C=C)N=C.
What is the InChIKey of N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine?
The InChIKey is XRUDYMKOQXYDDO-YFHOEESVSA-N. The full InChI is InChI=1S/C11H17N/c1-5-7-10(3)8-9-11(6-2)12-4/h5-7,11H,1-2,4,8-9H2,3H3/b10-7-.
What are the key properties of N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine?
N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine is sourced from PubChem (CID 89260091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).