2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane

C13H29NO2 — CID 142227971

IUPAC2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane
SMILESCC.CCC(C)(C)C(=O)C(N)COC(C)C
InChIInChI=1S/C11H23NO2.C2H6/c1-6-11(4,5)10(13)9(12)7-14-8(2)3;1-2/h8-9H,6-7,12H2,1-5H3;1-2H3
InChIKeyYEBBBSQJDHXSIT-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.77
Rot. Bonds6

About 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane

2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane (PubChem CID 142227971) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane.

Molecular Properties

Compound Name2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane
PubChem CID142227971
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane
SMILESCC.CCC(C)(C)C(=O)C(N)COC(C)C
InChIInChI=1S/C11H23NO2.C2H6/c1-6-11(4,5)10(13)9(12)7-14-8(2)3;1-2/h8-9H,6-7,12H2,1-5H3;1-2H3
InChIKeyYEBBBSQJDHXSIT-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane?
The IUPAC name of 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane (CID 142227971) is 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane.
What is the SMILES notation for 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane?
The canonical SMILES for 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane is CC.CCC(C)(C)C(=O)C(N)COC(C)C.
What is the InChIKey of 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane?
The InChIKey is YEBBBSQJDHXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C2H6/c1-6-11(4,5)10(13)9(12)7-14-8(2)3;1-2/h8-9H,6-7,12H2,1-5H3;1-2H3.
What are the key properties of 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane?
2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane has a molecular weight of 231.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethyl-1-propan-2-yloxyhexan-3-one;ethane is sourced from PubChem (CID 142227971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).