2,3,3-trimethyloct-7-en-4-imine

C11H21N — CID 138580985

IUPAC2,3,3-trimethyloct-7-en-4-imine
SMILES[H]/N=C(\CCC=C)C(C)(C)C(C)C
InChIInChI=1S/C11H21N/c1-6-7-8-10(12)11(4,5)9(2)3/h6,9,12H,1,7-8H2,2-5H3/b12-10+
InChIKeyMQCQAGSGLSHFSA-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.65
Rot. Bonds5

About 2,3,3-trimethyloct-7-en-4-imine

2,3,3-trimethyloct-7-en-4-imine (PubChem CID 138580985) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,3,3-trimethyloct-7-en-4-imine.

Molecular Properties

Compound Name2,3,3-trimethyloct-7-en-4-imine
PubChem CID138580985
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,3,3-trimethyloct-7-en-4-imine
SMILES[H]/N=C(\CCC=C)C(C)(C)C(C)C
InChIInChI=1S/C11H21N/c1-6-7-8-10(12)11(4,5)9(2)3/h6,9,12H,1,7-8H2,2-5H3/b12-10+
InChIKeyMQCQAGSGLSHFSA-ZRDIBKRKSA-N
XLogP3.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.65
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 2,3,3-trimethyloct-7-en-4-imine?
The IUPAC name of 2,3,3-trimethyloct-7-en-4-imine (CID 138580985) is 2,3,3-trimethyloct-7-en-4-imine.
What is the SMILES notation for 2,3,3-trimethyloct-7-en-4-imine?
The canonical SMILES for 2,3,3-trimethyloct-7-en-4-imine is [H]/N=C(\CCC=C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3-trimethyloct-7-en-4-imine?
The InChIKey is MQCQAGSGLSHFSA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-8-10(12)11(4,5)9(2)3/h6,9,12H,1,7-8H2,2-5H3/b12-10+.
What are the key properties of 2,3,3-trimethyloct-7-en-4-imine?
2,3,3-trimethyloct-7-en-4-imine has a molecular weight of 167.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyloct-7-en-4-imine is sourced from PubChem (CID 138580985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).