3-(propoxymethyl)cyclohex-2-en-1-amine

C10H19NO — CID 79568941

IUPAC3-(propoxymethyl)cyclohex-2-en-1-amine
SMILESCCCOCC1=CC(N)CCC1
InChIInChI=1S/C10H19NO/c1-2-6-12-8-9-4-3-5-10(11)7-9/h7,10H,2-6,8,11H2,1H3
InChIKeyLKHWYWKWCHXOBV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds4

About 3-(propoxymethyl)cyclohex-2-en-1-amine

3-(propoxymethyl)cyclohex-2-en-1-amine (PubChem CID 79568941) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(propoxymethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(propoxymethyl)cyclohex-2-en-1-amine
PubChem CID79568941
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(propoxymethyl)cyclohex-2-en-1-amine
SMILESCCCOCC1=CC(N)CCC1
InChIInChI=1S/C10H19NO/c1-2-6-12-8-9-4-3-5-10(11)7-9/h7,10H,2-6,8,11H2,1H3
InChIKeyLKHWYWKWCHXOBV-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
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-(propoxymethyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(propoxymethyl)cyclohex-2-en-1-amine (CID 79568941) is 3-(propoxymethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(propoxymethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(propoxymethyl)cyclohex-2-en-1-amine is CCCOCC1=CC(N)CCC1.
What is the InChIKey of 3-(propoxymethyl)cyclohex-2-en-1-amine?
The InChIKey is LKHWYWKWCHXOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-6-12-8-9-4-3-5-10(11)7-9/h7,10H,2-6,8,11H2,1H3.
What are the key properties of 3-(propoxymethyl)cyclohex-2-en-1-amine?
3-(propoxymethyl)cyclohex-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 79568941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).