4-amino-2,2,6-trimethylnonan-3-one;ethane

C14H31NO — CID 142239507

IUPAC4-amino-2,2,6-trimethylnonan-3-one;ethane
SMILESCC.CCCC(C)CC(N)C(=O)C(C)(C)C
InChIInChI=1S/C12H25NO.C2H6/c1-6-7-9(2)8-10(13)11(14)12(3,4)5;1-2/h9-10H,6-8,13H2,1-5H3;1-2H3
InChIKeyBZSLGAJLQGTLGR-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.78
Rot. Bonds5

About 4-amino-2,2,6-trimethylnonan-3-one;ethane

4-amino-2,2,6-trimethylnonan-3-one;ethane (PubChem CID 142239507) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-amino-2,2,6-trimethylnonan-3-one;ethane.

Molecular Properties

Compound Name4-amino-2,2,6-trimethylnonan-3-one;ethane
PubChem CID142239507
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-amino-2,2,6-trimethylnonan-3-one;ethane
SMILESCC.CCCC(C)CC(N)C(=O)C(C)(C)C
InChIInChI=1S/C12H25NO.C2H6/c1-6-7-9(2)8-10(13)11(14)12(3,4)5;1-2/h9-10H,6-8,13H2,1-5H3;1-2H3
InChIKeyBZSLGAJLQGTLGR-UHFFFAOYSA-N
XLogP3.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,6-trimethylnonan-3-one;ethane?
The IUPAC name of 4-amino-2,2,6-trimethylnonan-3-one;ethane (CID 142239507) is 4-amino-2,2,6-trimethylnonan-3-one;ethane.
What is the SMILES notation for 4-amino-2,2,6-trimethylnonan-3-one;ethane?
The canonical SMILES for 4-amino-2,2,6-trimethylnonan-3-one;ethane is CC.CCCC(C)CC(N)C(=O)C(C)(C)C.
What is the InChIKey of 4-amino-2,2,6-trimethylnonan-3-one;ethane?
The InChIKey is BZSLGAJLQGTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C2H6/c1-6-7-9(2)8-10(13)11(14)12(3,4)5;1-2/h9-10H,6-8,13H2,1-5H3;1-2H3.
What are the key properties of 4-amino-2,2,6-trimethylnonan-3-one;ethane?
4-amino-2,2,6-trimethylnonan-3-one;ethane has a molecular weight of 229.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,6-trimethylnonan-3-one;ethane is sourced from PubChem (CID 142239507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).