1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol

C10H21NO2 — CID 103852823

IUPAC1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol
SMILESC=CCCOCCNCC(C)(C)O
InChIInChI=1S/C10H21NO2/c1-4-5-7-13-8-6-11-9-10(2,3)12/h4,11-12H,1,5-9H2,2-3H3
InChIKeyUJUAYPMPAYEJLB-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds8

About 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol

1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol (PubChem CID 103852823) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol
PubChem CID103852823
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol
SMILESC=CCCOCCNCC(C)(C)O
InChIInChI=1S/C10H21NO2/c1-4-5-7-13-8-6-11-9-10(2,3)12/h4,11-12H,1,5-9H2,2-3H3
InChIKeyUJUAYPMPAYEJLB-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315
2-[2-[2-(But-3-enylamino)ethoxy]ethylamino]ethanol
CID 164164057
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-propylpropan-1-amine
CID 62441682
N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine
CID 62441685
N-(2-but-3-enoxypropyl)-2-methylpropan-1-amine
CID 62441686
2-but-3-enoxy-N-tert-butylbutan-1-amine
CID 62441687

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol (CID 103852823) is 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol is C=CCCOCCNCC(C)(C)O.
What is the InChIKey of 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol?
The InChIKey is UJUAYPMPAYEJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-7-13-8-6-11-9-10(2,3)12/h4,11-12H,1,5-9H2,2-3H3.
What are the key properties of 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol?
1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103852823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).