5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine

C12H23N — CID 54568279

IUPAC5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine
SMILESCCC1C=CCC(N(C)C)C1CC
InChIInChI=1S/C12H23N/c1-5-10-8-7-9-12(13(3)4)11(10)6-2/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyZVKDCRKHROWGST-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds3

About 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine

5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine (PubChem CID 54568279) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine
PubChem CID54568279
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine
SMILESCCC1C=CCC(N(C)C)C1CC
InChIInChI=1S/C12H23N/c1-5-10-8-7-9-12(13(3)4)11(10)6-2/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyZVKDCRKHROWGST-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.93
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 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine?
The IUPAC name of 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine (CID 54568279) is 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine is CCC1C=CCC(N(C)C)C1CC.
What is the InChIKey of 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine?
The InChIKey is ZVKDCRKHROWGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-10-8-7-9-12(13(3)4)11(10)6-2/h7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine?
5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 54568279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).