1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine

C11H21NO — CID 103276995

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine
SMILESCCONCC1CC(C)=CC(C)C1
InChIInChI=1S/C11H21NO/c1-4-13-12-8-11-6-9(2)5-10(3)7-11/h5,9,11-12H,4,6-8H2,1-3H3
InChIKeyMKXXCBYEMCWEIP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.52
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine (PubChem CID 103276995) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine
PubChem CID103276995
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine
SMILESCCONCC1CC(C)=CC(C)C1
InChIInChI=1S/C11H21NO/c1-4-13-12-8-11-6-9(2)5-10(3)7-11/h5,9,11-12H,4,6-8H2,1-3H3
InChIKeyMKXXCBYEMCWEIP-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine (CID 103276995) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine is CCONCC1CC(C)=CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine?
The InChIKey is MKXXCBYEMCWEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-13-12-8-11-6-9(2)5-10(3)7-11/h5,9,11-12H,4,6-8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine has a molecular weight of 183.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-ethoxymethanamine is sourced from PubChem (CID 103276995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).