5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

C10H21NO2 — CID 79607482

IUPAC5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)COC
InChIInChI=1S/C10H21NO2/c1-10(9-13-3)5-4-6-11-7-8-12-2/h5,11H,4,6-9H2,1-3H3
InChIKeyTUWPCWZOXSCFER-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.21
Rot. Bonds8

About 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (PubChem CID 79607482) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
PubChem CID79607482
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)COC
InChIInChI=1S/C10H21NO2/c1-10(9-13-3)5-4-6-11-7-8-12-2/h5,11H,4,6-9H2,1-3H3
InChIKeyTUWPCWZOXSCFER-UHFFFAOYSA-N
XLogP1.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (CID 79607482) is 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is COCCNCCC=C(C)COC.
What is the InChIKey of 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The InChIKey is TUWPCWZOXSCFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(9-13-3)5-4-6-11-7-8-12-2/h5,11H,4,6-9H2,1-3H3.
What are the key properties of 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79607482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).