3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol

C10H23NO3 — CID 64804616

IUPAC3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
SMILESCCCCOCCOCC(CO)NC
InChIInChI=1S/C10H23NO3/c1-3-4-5-13-6-7-14-9-10(8-12)11-2/h10-12H,3-9H2,1-2H3
InChIKeyJUIFVMMFFZNXLU-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.40
Rot. Bonds10

About 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol

3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol (PubChem CID 64804616) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
PubChem CID64804616
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
SMILESCCCCOCCOCC(CO)NC
InChIInChI=1S/C10H23NO3/c1-3-4-5-13-6-7-14-9-10(8-12)11-2/h10-12H,3-9H2,1-2H3
InChIKeyJUIFVMMFFZNXLU-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
3-(2-butoxyethoxy)-2-(cyclopropylamino)propan-1-ol
CID 64804409
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
6-butoxy-N-methylhexan-3-amine
CID 61483969
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
2-(methylamino)hexadecan-1-ol
CID 118696061
1,3-dibutoxypropan-2-ylhydrazine
CID 89380830
1-butoxybutane;N-methylmethanamine
CID 88830911
N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine
CID 88915245
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol (CID 64804616) is 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol is CCCCOCCOCC(CO)NC.
What is the InChIKey of 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol?
The InChIKey is JUIFVMMFFZNXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-3-4-5-13-6-7-14-9-10(8-12)11-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol?
3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64804616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).