1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine

C12H23N — CID 22630156

IUPAC1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine
SMILESCC(N)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9(13)10-6-11(2,3)8-12(4,5)7-10/h6,9H,7-8,13H2,1-5H3
InChIKeyDZLVXYLEYJOARO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds1

About 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine

1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine (PubChem CID 22630156) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine
PubChem CID22630156
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine
SMILESCC(N)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C12H23N/c1-9(13)10-6-11(2,3)8-12(4,5)7-10/h6,9H,7-8,13H2,1-5H3
InChIKeyDZLVXYLEYJOARO-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.11
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 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine?
The IUPAC name of 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine (CID 22630156) is 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine.
What is the SMILES notation for 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine?
The canonical SMILES for 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine is CC(N)C1=CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine?
The InChIKey is DZLVXYLEYJOARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(13)10-6-11(2,3)8-12(4,5)7-10/h6,9H,7-8,13H2,1-5H3.
What are the key properties of 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine?
1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5,5-tetramethylcyclohexen-1-yl)ethanamine is sourced from PubChem (CID 22630156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).