6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one

C17H35NO3 — CID 142426761

IUPAC6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one
SMILESCC(C)(C)COC(C)(C)CCOC(C)(C)C(=O)CCCN
InChIInChI=1S/C17H35NO3/c1-15(2,3)13-21-16(4,5)10-12-20-17(6,7)14(19)9-8-11-18/h8-13,18H2,1-7H3
InChIKeySWGSBUASMTWMDV-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.32
Rot. Bonds10

About 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one

6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one (PubChem CID 142426761) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one.

Molecular Properties

Compound Name6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one
PubChem CID142426761
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one
SMILESCC(C)(C)COC(C)(C)CCOC(C)(C)C(=O)CCCN
InChIInChI=1S/C17H35NO3/c1-15(2,3)13-21-16(4,5)10-12-20-17(6,7)14(19)9-8-11-18/h8-13,18H2,1-7H3
InChIKeySWGSBUASMTWMDV-UHFFFAOYSA-N
XLogP3.32
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one?
The IUPAC name of 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one (CID 142426761) is 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one.
What is the SMILES notation for 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one?
The canonical SMILES for 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one is CC(C)(C)COC(C)(C)CCOC(C)(C)C(=O)CCCN.
What is the InChIKey of 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one?
The InChIKey is SWGSBUASMTWMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-15(2,3)13-21-16(4,5)10-12-20-17(6,7)14(19)9-8-11-18/h8-13,18H2,1-7H3.
What are the key properties of 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one?
6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one has a molecular weight of 301.47 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-(2,2-dimethylpropoxy)-3-methylbutoxy]-2-methylhexan-3-one is sourced from PubChem (CID 142426761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).