1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine

C12H21N — CID 67710758

IUPAC1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine
SMILESCC(C1C=CC(C)(C)C=C1)N(C)C
InChIInChI=1S/C12H21N/c1-10(13(4)5)11-6-8-12(2,3)9-7-11/h6-11H,1-5H3
InChIKeyFKZCNUCCOIRQGY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.70
Rot. Bonds2

About 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine

1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 67710758) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine
PubChem CID67710758
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine
SMILESCC(C1C=CC(C)(C)C=C1)N(C)C
InChIInChI=1S/C12H21N/c1-10(13(4)5)11-6-8-12(2,3)9-7-11/h6-11H,1-5H3
InChIKeyFKZCNUCCOIRQGY-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
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-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine (CID 67710758) is 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine is CC(C1C=CC(C)(C)C=C1)N(C)C.
What is the InChIKey of 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is FKZCNUCCOIRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(13(4)5)11-6-8-12(2,3)9-7-11/h6-11H,1-5H3.
What are the key properties of 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine?
1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 67710758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).