N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine

C11H17N — CID 166650843

IUPACN-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
SMILESC=C/C(C)=C\C(/N=C/C)=C(C)C
InChIInChI=1S/C11H17N/c1-6-10(5)8-11(9(3)4)12-7-2/h6-8H,1H2,2-5H3/b10-8-,12-7+
InChIKeyFKDPWLBWHLFATF-GJIIZVESSA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds3

About N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine

N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine (PubChem CID 166650843) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
PubChem CID166650843
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
SMILESC=C/C(C)=C\C(/N=C/C)=C(C)C
InChIInChI=1S/C11H17N/c1-6-10(5)8-11(9(3)4)12-7-2/h6-8H,1H2,2-5H3/b10-8-,12-7+
InChIKeyFKDPWLBWHLFATF-GJIIZVESSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.50
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)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine?
The IUPAC name of N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine (CID 166650843) is N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine.
What is the SMILES notation for N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine?
The canonical SMILES for N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine is C=C/C(C)=C\C(/N=C/C)=C(C)C.
What is the InChIKey of N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine?
The InChIKey is FKDPWLBWHLFATF-GJIIZVESSA-N. The full InChI is InChI=1S/C11H17N/c1-6-10(5)8-11(9(3)4)12-7-2/h6-8H,1H2,2-5H3/b10-8-,12-7+.
What are the key properties of N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine?
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine has a molecular weight of 163.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine is sourced from PubChem (CID 166650843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).