3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol

C11H25NO3 — CID 106447159

IUPAC3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
SMILESCNC(CCO)COCCOCC(C)C
InChIInChI=1S/C11H25NO3/c1-10(2)8-14-6-7-15-9-11(12-3)4-5-13/h10-13H,4-9H2,1-3H3
InChIKeyQYWFENZSSBJZRK-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.65
Rot. Bonds10

About 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol

3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol (PubChem CID 106447159) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
PubChem CID106447159
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
SMILESCNC(CCO)COCCOCC(C)C
InChIInChI=1S/C11H25NO3/c1-10(2)8-14-6-7-15-9-11(12-3)4-5-13/h10-13H,4-9H2,1-3H3
InChIKeyQYWFENZSSBJZRK-UHFFFAOYSA-N
XLogP0.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.65
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-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711
N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
CID 106447296
N-methyl-1-(2-methylpropoxy)pentan-2-amine
CID 62044307
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
3-(methylamino)-4-(oxetan-3-yloxy)butan-1-ol
CID 102606135
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
CID 64804616

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol?
The IUPAC name of 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol (CID 106447159) is 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol?
The canonical SMILES for 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol is CNC(CCO)COCCOCC(C)C.
What is the InChIKey of 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol?
The InChIKey is QYWFENZSSBJZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-10(2)8-14-6-7-15-9-11(12-3)4-5-13/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol?
3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol is sourced from PubChem (CID 106447159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).