1-(4-methoxybutoxy)-2-methylpropan-2-amine

C9H21NO2 — CID 104648280

IUPAC1-(4-methoxybutoxy)-2-methylpropan-2-amine
SMILESCOCCCCOCC(C)(C)N
InChIInChI=1S/C9H21NO2/c1-9(2,10)8-12-7-5-4-6-11-3/h4-8,10H2,1-3H3
InChIKeyGCGANEOMIURIMD-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds7

About 1-(4-methoxybutoxy)-2-methylpropan-2-amine

1-(4-methoxybutoxy)-2-methylpropan-2-amine (PubChem CID 104648280) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(4-methoxybutoxy)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxybutoxy)-2-methylpropan-2-amine
PubChem CID104648280
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-(4-methoxybutoxy)-2-methylpropan-2-amine
SMILESCOCCCCOCC(C)(C)N
InChIInChI=1S/C9H21NO2/c1-9(2,10)8-12-7-5-4-6-11-3/h4-8,10H2,1-3H3
InChIKeyGCGANEOMIURIMD-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-nonoxypropan-2-amine
CID 64536580
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-(3-methoxypropoxy)-2-methylbutan-2-amine
CID 64573392
6-methoxy-2-methylhexan-2-amine
CID 94975413
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
2-methyl-1-(4-methylpentoxy)propan-2-amine
CID 83158586
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
1-butoxy-4-methoxybutane
CID 13082830
1,3-bis(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propane;ethane;sulfane
CID 153349276

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutoxy)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-methoxybutoxy)-2-methylpropan-2-amine (CID 104648280) is 1-(4-methoxybutoxy)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxybutoxy)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-methoxybutoxy)-2-methylpropan-2-amine is COCCCCOCC(C)(C)N.
What is the InChIKey of 1-(4-methoxybutoxy)-2-methylpropan-2-amine?
The InChIKey is GCGANEOMIURIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,10)8-12-7-5-4-6-11-3/h4-8,10H2,1-3H3.
What are the key properties of 1-(4-methoxybutoxy)-2-methylpropan-2-amine?
1-(4-methoxybutoxy)-2-methylpropan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutoxy)-2-methylpropan-2-amine is sourced from PubChem (CID 104648280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).