2,2,5-trimethylhex-4-en-3-imine

C9H17N — CID 123880351

IUPAC2,2,5-trimethylhex-4-en-3-imine
SMILES[H]/N=C(\C=C(C)C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-7(2)6-8(10)9(3,4)5/h6,10H,1-5H3/b10-8+
InChIKeyGYLMWCZMARMRJK-CSKARUKUSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds1

About 2,2,5-trimethylhex-4-en-3-imine

2,2,5-trimethylhex-4-en-3-imine (PubChem CID 123880351) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,2,5-trimethylhex-4-en-3-imine.

Molecular Properties

Compound Name2,2,5-trimethylhex-4-en-3-imine
PubChem CID123880351
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,2,5-trimethylhex-4-en-3-imine
SMILES[H]/N=C(\C=C(C)C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-7(2)6-8(10)9(3,4)5/h6,10H,1-5H3/b10-8+
InChIKeyGYLMWCZMARMRJK-CSKARUKUSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
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 2,2,5-trimethylhex-4-en-3-imine?
The IUPAC name of 2,2,5-trimethylhex-4-en-3-imine (CID 123880351) is 2,2,5-trimethylhex-4-en-3-imine.
What is the SMILES notation for 2,2,5-trimethylhex-4-en-3-imine?
The canonical SMILES for 2,2,5-trimethylhex-4-en-3-imine is [H]/N=C(\C=C(C)C)C(C)(C)C.
What is the InChIKey of 2,2,5-trimethylhex-4-en-3-imine?
The InChIKey is GYLMWCZMARMRJK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)6-8(10)9(3,4)5/h6,10H,1-5H3/b10-8+.
What are the key properties of 2,2,5-trimethylhex-4-en-3-imine?
2,2,5-trimethylhex-4-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylhex-4-en-3-imine is sourced from PubChem (CID 123880351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).