(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine

C10H17N — CID 170225424

IUPAC(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
SMILESCC/C(C)=C/C(C)=C\C=N\C
InChIInChI=1S/C10H17N/c1-5-9(2)8-10(3)6-7-11-4/h6-8H,5H2,1-4H3/b9-8+,10-6-,11-7+
InChIKeySZZRHCFZLNSLHA-MFPWRDKGSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds3

About (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine

(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine (PubChem CID 170225424) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
PubChem CID170225424
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
SMILESCC/C(C)=C/C(C)=C\C=N\C
InChIInChI=1S/C10H17N/c1-5-9(2)8-10(3)6-7-11-4/h6-8H,5H2,1-4H3/b9-8+,10-6-,11-7+
InChIKeySZZRHCFZLNSLHA-MFPWRDKGSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
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 (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine (CID 170225424) is (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine is CC/C(C)=C/C(C)=C\C=N\C.
What is the InChIKey of (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine?
The InChIKey is SZZRHCFZLNSLHA-MFPWRDKGSA-N. The full InChI is InChI=1S/C10H17N/c1-5-9(2)8-10(3)6-7-11-4/h6-8H,5H2,1-4H3/b9-8+,10-6-,11-7+.
What are the key properties of (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine?
(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine is sourced from PubChem (CID 170225424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).