4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol

C11H23NO2 — CID 106401567

IUPAC4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol
SMILESC=CCCOCCNCCC(C)(C)O
InChIInChI=1S/C11H23NO2/c1-4-5-9-14-10-8-12-7-6-11(2,3)13/h4,12-13H,1,5-10H2,2-3H3
InChIKeyVPSCKDQELFKTTO-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.33
Rot. Bonds9

About 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol

4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol (PubChem CID 106401567) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol
PubChem CID106401567
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol
SMILESC=CCCOCCNCCC(C)(C)O
InChIInChI=1S/C11H23NO2/c1-4-5-9-14-10-8-12-7-6-11(2,3)13/h4,12-13H,1,5-10H2,2-3H3
InChIKeyVPSCKDQELFKTTO-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.33
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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Related Compounds

3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
2-but-3-enoxy-N-ethyl-3-methylbutan-1-amine
CID 62441509
2-but-3-enoxy-3-methyl-N-propylbutan-1-amine
CID 62441510
2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62441671
2-but-3-enoxy-N-(3-ethoxypropyl)propan-1-amine
CID 62597139
2-but-3-enoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597305
N-(2-but-3-enoxypropyl)-3-methylbutan-1-amine
CID 62597306
3-but-3-enoxy-N-(2-methoxyethyl)propan-1-amine
CID 62597312
N-(2-but-3-enoxyethyl)-3-methylbutan-1-amine
CID 62597481
N-(2-but-3-enoxyethyl)-3-methoxypropan-1-amine
CID 62597649
N-(2-but-3-enoxyethyl)-3-ethoxypropan-1-amine
CID 62599385
N-(2-but-3-enoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 62599752

Frequently Asked Questions

What is the IUPAC name of 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol (CID 106401567) is 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol is C=CCCOCCNCCC(C)(C)O.
What is the InChIKey of 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol?
The InChIKey is VPSCKDQELFKTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-9-14-10-8-12-7-6-11(2,3)13/h4,12-13H,1,5-10H2,2-3H3.
What are the key properties of 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol?
4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-but-3-enoxyethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 106401567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).