N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine

C10H17N — CID 88536085

IUPACN-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(8-11-5)10(2,3)4/h6-8H,5H2,1-4H3/b7-6-,9-8+
InChIKeyQSEPVJTXGABONV-NMMTYZSQSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds2

About N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine (PubChem CID 88536085) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine
PubChem CID88536085
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(8-11-5)10(2,3)4/h6-8H,5H2,1-4H3/b7-6-,9-8+
InChIKeyQSEPVJTXGABONV-NMMTYZSQSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
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-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine (CID 88536085) is N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)C(C)(C)C.
What is the InChIKey of N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine?
The InChIKey is QSEPVJTXGABONV-NMMTYZSQSA-N. The full InChI is InChI=1S/C10H17N/c1-6-7-9(8-11-5)10(2,3)4/h6-8H,5H2,1-4H3/b7-6-,9-8+.
What are the key properties of N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 88536085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).