1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol

C10H21NO2 — CID 79178869

IUPAC1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol
SMILESCOCCNCC(C)(O)C=C(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)7-10(3,12)8-11-5-6-13-4/h7,11-12H,5-6,8H2,1-4H3
InChIKeyRZFUJNRIPKVMQH-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds6

About 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol

1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol (PubChem CID 79178869) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol
PubChem CID79178869
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol
SMILESCOCCNCC(C)(O)C=C(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)7-10(3,12)8-11-5-6-13-4/h7,11-12H,5-6,8H2,1-4H3
InChIKeyRZFUJNRIPKVMQH-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
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 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol (CID 79178869) is 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol is COCCNCC(C)(O)C=C(C)C.
What is the InChIKey of 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol?
The InChIKey is RZFUJNRIPKVMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)7-10(3,12)8-11-5-6-13-4/h7,11-12H,5-6,8H2,1-4H3.
What are the key properties of 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol?
1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-2,4-dimethylpent-3-en-2-ol is sourced from PubChem (CID 79178869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).