2-(2-aminopropoxy)ethanol;2-methylbut-2-ene

C10H23NO2 — CID 174594441

IUPAC2-(2-aminopropoxy)ethanol;2-methylbut-2-ene
SMILESCC(N)COCCO.CC=C(C)C
InChIInChI=1S/C5H13NO2.C5H10/c1-5(6)4-8-3-2-7;1-4-5(2)3/h5,7H,2-4,6H2,1H3;4H,1-3H3
InChIKeyBLHHPPKMNGNHBA-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene

2-(2-aminopropoxy)ethanol;2-methylbut-2-ene (PubChem CID 174594441) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene.

Molecular Properties

Compound Name2-(2-aminopropoxy)ethanol;2-methylbut-2-ene
PubChem CID174594441
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(2-aminopropoxy)ethanol;2-methylbut-2-ene
SMILESCC(N)COCCO.CC=C(C)C
InChIInChI=1S/C5H13NO2.C5H10/c1-5(6)4-8-3-2-7;1-4-5(2)3/h5,7H,2-4,6H2,1H3;4H,1-3H3
InChIKeyBLHHPPKMNGNHBA-UHFFFAOYSA-N
XLogP1.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.32
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-[(2R)-2-aminopropoxy]ethanol
CID 21097963
4-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 158045647
2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
CID 18784446
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
CID 173050700
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90384666

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene?
The IUPAC name of 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene (CID 174594441) is 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene.
What is the SMILES notation for 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene?
The canonical SMILES for 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene is CC(N)COCCO.CC=C(C)C.
What is the InChIKey of 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene?
The InChIKey is BLHHPPKMNGNHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C5H10/c1-5(6)4-8-3-2-7;1-4-5(2)3/h5,7H,2-4,6H2,1H3;4H,1-3H3.
What are the key properties of 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene?
2-(2-aminopropoxy)ethanol;2-methylbut-2-ene has a molecular weight of 189.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropoxy)ethanol;2-methylbut-2-ene is sourced from PubChem (CID 174594441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).