3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol

C11H23NO2 — CID 106397206

IUPAC3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol
SMILESC=CCCOCCNCC(C)(C)CO
InChIInChI=1S/C11H23NO2/c1-4-5-7-14-8-6-12-9-11(2,3)10-13/h4,12-13H,1,5-10H2,2-3H3
InChIKeyNONJWISPTXUMGW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.19
Rot. Bonds9

About 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol

3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol (PubChem CID 106397206) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol
PubChem CID106397206
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol
SMILESC=CCCOCCNCC(C)(C)CO
InChIInChI=1S/C11H23NO2/c1-4-5-7-14-8-6-12-9-11(2,3)10-13/h4,12-13H,1,5-10H2,2-3H3
InChIKeyNONJWISPTXUMGW-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
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-enylamino)-2,2-dimethylpropan-1-ol
CID 57591267
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-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
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 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol (CID 106397206) is 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol is C=CCCOCCNCC(C)(C)CO.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is NONJWISPTXUMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-7-14-8-6-12-9-11(2,3)10-13/h4,12-13H,1,5-10H2,2-3H3.
What are the key properties of 3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol?
3-(2-but-3-enoxyethylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.19, 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)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 106397206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).