4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine

C12H27NO2 — CID 142600828

IUPAC4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
SMILESCCC(C)(CCOC)OCCC(C)(C)N
InChIInChI=1S/C12H27NO2/c1-6-12(4,8-9-14-5)15-10-7-11(2,3)13/h6-10,13H2,1-5H3
InChIKeyLWQTVCKAXJZUBN-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.34
Rot. Bonds8

About 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine

4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine (PubChem CID 142600828) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
PubChem CID142600828
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
SMILESCCC(C)(CCOC)OCCC(C)(C)N
InChIInChI=1S/C12H27NO2/c1-6-12(4,8-9-14-5)15-10-7-11(2,3)13/h6-10,13H2,1-5H3
InChIKeyLWQTVCKAXJZUBN-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
CID 89083438
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
CID 143332737
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine
CID 123534203
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
6-methoxy-2-methylhexan-2-amine
CID 94975413
2-[3-(3-methoxy-3-methylpentoxy)-3-methylpentoxy]ethyl methanesulfonate
CID 123590597
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062
2-(3-methylpentan-3-yloxy)ethanamine
CID 87222058
2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-amine
CID 89277490

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine?
The IUPAC name of 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine (CID 142600828) is 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine.
What is the SMILES notation for 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine?
The canonical SMILES for 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine is CCC(C)(CCOC)OCCC(C)(C)N.
What is the InChIKey of 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine?
The InChIKey is LWQTVCKAXJZUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-12(4,8-9-14-5)15-10-7-11(2,3)13/h6-10,13H2,1-5H3.
What are the key properties of 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine?
4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine is sourced from PubChem (CID 142600828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).