5,5,7,7-tetramethyloct-2-en-1-amine

C12H25N — CID 71370966

IUPAC5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCC(C)(C)CC(C)(C)CC=CCN
InChIInChI=1S/C12H25N/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10,13H2,1-5H3
InChIKeyJGCCAKHJNJCFLF-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds4

About 5,5,7,7-tetramethyloct-2-en-1-amine

5,5,7,7-tetramethyloct-2-en-1-amine (PubChem CID 71370966) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 5,5,7,7-tetramethyloct-2-en-1-amine.

Molecular Properties

Compound Name5,5,7,7-tetramethyloct-2-en-1-amine
PubChem CID71370966
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCC(C)(C)CC(C)(C)CC=CCN
InChIInChI=1S/C12H25N/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10,13H2,1-5H3
InChIKeyJGCCAKHJNJCFLF-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyloct-2-en-1-amine?
The IUPAC name of 5,5,7,7-tetramethyloct-2-en-1-amine (CID 71370966) is 5,5,7,7-tetramethyloct-2-en-1-amine.
What is the SMILES notation for 5,5,7,7-tetramethyloct-2-en-1-amine?
The canonical SMILES for 5,5,7,7-tetramethyloct-2-en-1-amine is CC(C)(C)CC(C)(C)CC=CCN.
What is the InChIKey of 5,5,7,7-tetramethyloct-2-en-1-amine?
The InChIKey is JGCCAKHJNJCFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10,13H2,1-5H3.
What are the key properties of 5,5,7,7-tetramethyloct-2-en-1-amine?
5,5,7,7-tetramethyloct-2-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyloct-2-en-1-amine is sourced from PubChem (CID 71370966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).