5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine

C12H26N2 — CID 54254781

IUPAC5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine
SMILESCCC1C=CCC(NC)C1CC.CN
InChIInChI=1S/C11H21N.CH5N/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h6-7,9-12H,4-5,8H2,1-3H3;2H2,1H3
InChIKeyQZGCNGQYYADQBV-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.16
Rot. Bonds3

About 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine

5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine (PubChem CID 54254781) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine.

Molecular Properties

Compound Name5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine
PubChem CID54254781
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine
SMILESCCC1C=CCC(NC)C1CC.CN
InChIInChI=1S/C11H21N.CH5N/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h6-7,9-12H,4-5,8H2,1-3H3;2H2,1H3
InChIKeyQZGCNGQYYADQBV-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylcyclohex-3-en-1-amine;methanamine?
The IUPAC name of 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine (CID 54254781) is 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine.
What is the SMILES notation for 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine?
The canonical SMILES for 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine is CCC1C=CCC(NC)C1CC.CN.
What is the InChIKey of 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine?
The InChIKey is QZGCNGQYYADQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.CH5N/c1-4-9-7-6-8-11(12-3)10(9)5-2;1-2/h6-7,9-12H,4-5,8H2,1-3H3;2H2,1H3.
What are the key properties of 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine?
5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine has a molecular weight of 198.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-methylcyclohex-3-en-1-amine;methanamine is sourced from PubChem (CID 54254781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).