2-(1-methoxybutylamino)ethanol

C7H17NO2 — CID 134257831

IUPAC2-(1-methoxybutylamino)ethanol
SMILESCCCC(NCCO)OC
InChIInChI=1S/C7H17NO2/c1-3-4-7(10-2)8-5-6-9/h7-9H,3-6H2,1-2H3
InChIKeyYMVGKZIRNQQRPW-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.34
Rot. Bonds6

About 2-(1-methoxybutylamino)ethanol

2-(1-methoxybutylamino)ethanol (PubChem CID 134257831) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(1-methoxybutylamino)ethanol.

Molecular Properties

Compound Name2-(1-methoxybutylamino)ethanol
PubChem CID134257831
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-(1-methoxybutylamino)ethanol
SMILESCCCC(NCCO)OC
InChIInChI=1S/C7H17NO2/c1-3-4-7(10-2)8-5-6-9/h7-9H,3-6H2,1-2H3
InChIKeyYMVGKZIRNQQRPW-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-methoxybutan-1-amine
CID 88850501
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
2-[[(4R)-4-methoxyheptyl]amino]ethanol
CID 97035434
2-(2-hydroxyethylamino)pentanenitrile
CID 62586058
CID 172703702
CID 172703702
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
N-butyl-1-pentoxybutan-1-amine
CID 88850312
2-(2-hydroxyethylamino)hexanal
CID 174299334
methoxymethane;bis(propan-1-ol)
CID 137366988
methoxymethane;tris(propan-1-ol)
CID 174760877

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutylamino)ethanol?
The IUPAC name of 2-(1-methoxybutylamino)ethanol (CID 134257831) is 2-(1-methoxybutylamino)ethanol.
What is the SMILES notation for 2-(1-methoxybutylamino)ethanol?
The canonical SMILES for 2-(1-methoxybutylamino)ethanol is CCCC(NCCO)OC.
What is the InChIKey of 2-(1-methoxybutylamino)ethanol?
The InChIKey is YMVGKZIRNQQRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-4-7(10-2)8-5-6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(1-methoxybutylamino)ethanol?
2-(1-methoxybutylamino)ethanol has a molecular weight of 147.22 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutylamino)ethanol is sourced from PubChem (CID 134257831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).