1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol

C12H28N2O2 — CID 115474821

IUPAC1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCCCCN(CC)CC(O)CNCCOC
InChIInChI=1S/C12H28N2O2/c1-4-6-8-14(5-2)11-12(15)10-13-7-9-16-3/h12-13,15H,4-11H2,1-3H3
InChIKeyGRHPRTMBOHMRNH-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.71
Rot. Bonds11

About 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol

1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 115474821) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
PubChem CID115474821
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCCCCN(CC)CC(O)CNCCOC
InChIInChI=1S/C12H28N2O2/c1-4-6-8-14(5-2)11-12(15)10-13-7-9-16-3/h12-13,15H,4-11H2,1-3H3
InChIKeyGRHPRTMBOHMRNH-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.71
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

1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 115475131
1-[2-(diethylamino)ethylsulfanyl]-3-(2-methoxyethylamino)propan-2-ol
CID 113317899
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
3-[[2-hydroxy-3-(2-methoxyethylamino)propyl]-(2-methylpropyl)amino]propanenitrile
CID 113317541

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol (CID 115474821) is 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol is CCCCN(CC)CC(O)CNCCOC.
What is the InChIKey of 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is GRHPRTMBOHMRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-6-8-14(5-2)11-12(15)10-13-7-9-16-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 0.71, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 115474821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).