5,5-dimethylhex-1-en-3-imine

C8H15N — CID 155097265

IUPAC5,5-dimethylhex-1-en-3-imine
SMILES[H]/N=C(\C=C)CC(C)(C)C
InChIInChI=1S/C8H15N/c1-5-7(9)6-8(2,3)4/h5,9H,1,6H2,2-4H3/b9-7+
InChIKeyHXUBTAFDZTUSDV-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds2

About 5,5-dimethylhex-1-en-3-imine

5,5-dimethylhex-1-en-3-imine (PubChem CID 155097265) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5,5-dimethylhex-1-en-3-imine.

Molecular Properties

Compound Name5,5-dimethylhex-1-en-3-imine
PubChem CID155097265
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5,5-dimethylhex-1-en-3-imine
SMILES[H]/N=C(\C=C)CC(C)(C)C
InChIInChI=1S/C8H15N/c1-5-7(9)6-8(2,3)4/h5,9H,1,6H2,2-4H3/b9-7+
InChIKeyHXUBTAFDZTUSDV-VQHVLOKHSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhex-1-en-3-imine?
The IUPAC name of 5,5-dimethylhex-1-en-3-imine (CID 155097265) is 5,5-dimethylhex-1-en-3-imine.
What is the SMILES notation for 5,5-dimethylhex-1-en-3-imine?
The canonical SMILES for 5,5-dimethylhex-1-en-3-imine is [H]/N=C(\C=C)CC(C)(C)C.
What is the InChIKey of 5,5-dimethylhex-1-en-3-imine?
The InChIKey is HXUBTAFDZTUSDV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(9)6-8(2,3)4/h5,9H,1,6H2,2-4H3/b9-7+.
What are the key properties of 5,5-dimethylhex-1-en-3-imine?
5,5-dimethylhex-1-en-3-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhex-1-en-3-imine is sourced from PubChem (CID 155097265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).