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

C10H21NO2 — CID 106401609

IUPAC3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol
SMILESC=CCCOCCNCC(C)CO
InChIInChI=1S/C10H21NO2/c1-3-4-6-13-7-5-11-8-10(2)9-12/h3,10-12H,1,4-9H2,2H3
InChIKeyUHKSDWHCTQSSBU-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.80
Rot. Bonds9

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

3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol (PubChem CID 106401609) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol
PubChem CID106401609
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol
SMILESC=CCCOCCNCC(C)CO
InChIInChI=1S/C10H21NO2/c1-3-4-6-13-7-5-11-8-10(2)9-12/h3,10-12H,1,4-9H2,2H3
InChIKeyUHKSDWHCTQSSBU-UHFFFAOYSA-N
XLogP0.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.80
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

2-[(2-Methyl-3-prop-2-enoxypropyl)amino]ethanol
CID 90244806
1-(3-Methoxypropylamino)but-3-en-1-ol
CID 121330217
1-[3-(3-Hydroxypropoxy)propylamino]but-3-en-1-ol
CID 139439293
3-[2-(Pent-4-enylamino)ethoxy]propan-1-ol
CID 153618181
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315
2-[2-[2-(But-3-enylamino)ethoxy]ethylamino]ethanol
CID 164164057
2-Methyl-2-(2-methylbut-3-enylamino)propan-1-ol
CID 13976255
N-(2-but-3-enoxypropyl)-2-methylpropan-1-amine
CID 62441686
N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine
CID 62442685
2-but-3-enoxy-N-(3-ethoxypropyl)propan-1-amine
CID 62597139
2-but-3-enoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597305
3-but-3-enoxy-N-(2-methoxyethyl)propan-1-amine
CID 62597312

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol (CID 106401609) is 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol is C=CCCOCCNCC(C)CO.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol?
The InChIKey is UHKSDWHCTQSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-6-13-7-5-11-8-10(2)9-12/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol?
3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 106401609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).