1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol

C10H21NO2 — CID 89112922

IUPAC1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol
SMILESC=CC(C)(N)OCCC(C)(O)CC
InChIInChI=1S/C10H21NO2/c1-5-9(3,12)7-8-13-10(4,11)6-2/h6,12H,2,5,7-8,11H2,1,3-4H3
InChIKeyFYMMTBFFENFIDQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.41
Rot. Bonds6

About 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol

1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol (PubChem CID 89112922) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol
PubChem CID89112922
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol
SMILESC=CC(C)(N)OCCC(C)(O)CC
InChIInChI=1S/C10H21NO2/c1-5-9(3,12)7-8-13-10(4,11)6-2/h6,12H,2,5,7-8,11H2,1,3-4H3
InChIKeyFYMMTBFFENFIDQ-UHFFFAOYSA-N
XLogP1.41
TPSA55.48 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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-3-methylpentyl) prop-2-enoate
CID 54291142
1-(1,4-diamino-2-methylbutan-2-yl)oxy-3-methylpentan-3-ol
CID 148960740
1-amino-3-methylpentan-3-ol
CID 54320456
[3-(3-hydroxy-3-methylpentoxy)-3-methylbutyl] 3-methylpentan-3-yl carbonate
CID 130220570
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
CID 142478700
6-methoxy-3-methylhexan-3-ol
CID 114851780
1-[1-(methoxymethylphosphanyl)-2-methylbutan-2-yl]oxy-3-methylpentan-3-ol
CID 156566414
2-amino-2-(3,3-dimethylbutoxy)propanal
CID 174246951
1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
CID 118549273
sodium;hydride;3-methylhexan-3-ol
CID 175384887
1-chloro-3-methylpentan-3-ol
CID 537896

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol?
The IUPAC name of 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol (CID 89112922) is 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol.
What is the SMILES notation for 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol?
The canonical SMILES for 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol is C=CC(C)(N)OCCC(C)(O)CC.
What is the InChIKey of 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol?
The InChIKey is FYMMTBFFENFIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(3,12)7-8-13-10(4,11)6-2/h6,12H,2,5,7-8,11H2,1,3-4H3.
What are the key properties of 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol?
1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol has a molecular weight of 187.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol is sourced from PubChem (CID 89112922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).