3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine

C12H28N2O2 — CID 126734021

IUPAC3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
SMILESCC(C)(CCN)OCC(C)(C)OCCCN
InChIInChI=1S/C12H28N2O2/c1-11(2,6-8-14)16-10-12(3,4)15-9-5-7-13/h5-10,13-14H2,1-4H3
InChIKeyXLJHWDQMAKBJLS-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.27
Rot. Bonds9

About 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine

3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine (PubChem CID 126734021) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
PubChem CID126734021
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
SMILESCC(C)(CCN)OCC(C)(C)OCCCN
InChIInChI=1S/C12H28N2O2/c1-11(2,6-8-14)16-10-12(3,4)15-9-5-7-13/h5-10,13-14H2,1-4H3
InChIKeyXLJHWDQMAKBJLS-UHFFFAOYSA-N
XLogP1.27
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.27
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-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol
CID 174354791
3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropan-1-amine
CID 88578913
2-[1-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]oxyethanamine
CID 142483285
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
CID 153375570
3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
CID 155082784
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
CID 155257512
3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
3-methyl-3-(3-methylpentoxy)butan-1-amine
CID 89007846
2-[2-(3-aminopropoxy)propan-2-yloxy]-2-methylpropan-1-amine
CID 118118074

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine?
The IUPAC name of 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine (CID 126734021) is 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine.
What is the SMILES notation for 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine?
The canonical SMILES for 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine is CC(C)(CCN)OCC(C)(C)OCCCN.
What is the InChIKey of 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine?
The InChIKey is XLJHWDQMAKBJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-11(2,6-8-14)16-10-12(3,4)15-9-5-7-13/h5-10,13-14H2,1-4H3.
What are the key properties of 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine?
3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine is sourced from PubChem (CID 126734021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).