3-amino-3,5-dimethyloctan-4-one

C10H21NO — CID 107890205

IUPAC3-amino-3,5-dimethyloctan-4-one
SMILESCCCC(C)C(=O)C(C)(N)CC
InChIInChI=1S/C10H21NO/c1-5-7-8(3)9(12)10(4,11)6-2/h8H,5-7,11H2,1-4H3
InChIKeyMJQQUIYAZOREKT-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds5

About 3-amino-3,5-dimethyloctan-4-one

3-amino-3,5-dimethyloctan-4-one (PubChem CID 107890205) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-amino-3,5-dimethyloctan-4-one.

Molecular Properties

Compound Name3-amino-3,5-dimethyloctan-4-one
PubChem CID107890205
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-amino-3,5-dimethyloctan-4-one
SMILESCCCC(C)C(=O)C(C)(N)CC
InChIInChI=1S/C10H21NO/c1-5-7-8(3)9(12)10(4,11)6-2/h8H,5-7,11H2,1-4H3
InChIKeyMJQQUIYAZOREKT-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-Aminocyclohexyl)ethan-1-one hydrochloride
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1-(1-Aminocyclopentyl)propan-1-one hydrochloride
CID 138991442
1-(1-Aminocyclohexyl)propan-1-one hydrochloride
CID 139022473
1-(1-Aminocyclopentyl)propan-1-one
CID 12035427
1-(1-Aminocyclohexyl)propan-1-one
CID 21018812
1-Cyclopropanecarbonylcyclopentan-1-amine
CID 58525271
2-Amino-1-(4-fluorocyclohexyl)-2-methylpropan-1-one
CID 140437452
N-diisovaleroylisoamylamine
CID 129775777
2-Amino-1,1,1-trifluoro-2,4-dimethylheptan-3-one
CID 107890226
6-Amino-1,1,1-trifluoro-6-methylnonan-5-one
CID 116557100
5-Amino-1,1,1-trifluoro-5-methyloctan-4-one
CID 116557158

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,5-dimethyloctan-4-one?
The IUPAC name of 3-amino-3,5-dimethyloctan-4-one (CID 107890205) is 3-amino-3,5-dimethyloctan-4-one.
What is the SMILES notation for 3-amino-3,5-dimethyloctan-4-one?
The canonical SMILES for 3-amino-3,5-dimethyloctan-4-one is CCCC(C)C(=O)C(C)(N)CC.
What is the InChIKey of 3-amino-3,5-dimethyloctan-4-one?
The InChIKey is MJQQUIYAZOREKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-8(3)9(12)10(4,11)6-2/h8H,5-7,11H2,1-4H3.
What are the key properties of 3-amino-3,5-dimethyloctan-4-one?
3-amino-3,5-dimethyloctan-4-one has a molecular weight of 171.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,5-dimethyloctan-4-one is sourced from PubChem (CID 107890205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).