4,4,5-trimethyl-3-methylidenehex-5-en-2-imine

C10H17N — CID 126481346

IUPAC4,4,5-trimethyl-3-methylidenehex-5-en-2-imine
SMILES[H]/N=C(\C)C(=C)C(C)(C)C(=C)C
InChIInChI=1S/C10H17N/c1-7(2)10(5,6)8(3)9(4)11/h11H,1,3H2,2,4-6H3/b11-9+
InChIKeyJZOCWLQDGCZYCI-PKNBQFBNSA-N
MW151.25 g/mol
LogP3.18
Rot. Bonds3

About 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine

4,4,5-trimethyl-3-methylidenehex-5-en-2-imine (PubChem CID 126481346) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine.

Molecular Properties

Compound Name4,4,5-trimethyl-3-methylidenehex-5-en-2-imine
PubChem CID126481346
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4,4,5-trimethyl-3-methylidenehex-5-en-2-imine
SMILES[H]/N=C(\C)C(=C)C(C)(C)C(=C)C
InChIInChI=1S/C10H17N/c1-7(2)10(5,6)8(3)9(4)11/h11H,1,3H2,2,4-6H3/b11-9+
InChIKeyJZOCWLQDGCZYCI-PKNBQFBNSA-N
XLogP3.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine?
The IUPAC name of 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine (CID 126481346) is 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine.
What is the SMILES notation for 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine?
The canonical SMILES for 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine is [H]/N=C(\C)C(=C)C(C)(C)C(=C)C.
What is the InChIKey of 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine?
The InChIKey is JZOCWLQDGCZYCI-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)10(5,6)8(3)9(4)11/h11H,1,3H2,2,4-6H3/b11-9+.
What are the key properties of 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine?
4,4,5-trimethyl-3-methylidenehex-5-en-2-imine has a molecular weight of 151.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-3-methylidenehex-5-en-2-imine is sourced from PubChem (CID 126481346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).