3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine

C13H25NO — CID 65178070

IUPAC3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCCOCCCC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-4-15-7-5-6-11-8-12(14)10-13(2,3)9-11/h8,12H,4-7,9-10,14H2,1-3H3
InChIKeyYMOFCUZOWXRJKS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds5

About 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine

3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 65178070) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID65178070
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCCOCCCC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-4-15-7-5-6-11-8-12(14)10-13(2,3)9-11/h8,12H,4-7,9-10,14H2,1-3H3
InChIKeyYMOFCUZOWXRJKS-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine (CID 65178070) is 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine is CCOCCCC1=CC(N)CC(C)(C)C1.
What is the InChIKey of 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is YMOFCUZOWXRJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-15-7-5-6-11-8-12(14)10-13(2,3)9-11/h8,12H,4-7,9-10,14H2,1-3H3.
What are the key properties of 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 65178070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).