3-amino-5-ethyl-3-methylheptan-4-one

C10H21NO — CID 116590488

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

About 3-amino-5-ethyl-3-methylheptan-4-one

3-amino-5-ethyl-3-methylheptan-4-one (PubChem CID 116590488) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-amino-5-ethyl-3-methylheptan-4-one.

Molecular Properties

Compound Name3-amino-5-ethyl-3-methylheptan-4-one
PubChem CID116590488
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-amino-5-ethyl-3-methylheptan-4-one
SMILESCCC(CC)C(=O)C(C)(N)CC
InChIInChI=1S/C10H21NO/c1-5-8(6-2)9(12)10(4,11)7-3/h8H,5-7,11H2,1-4H3
InChIKeyIJGDCOYFWUDELE-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

4-amino-2,4-dimethylhexan-3-one
CID 116590206
4-ethyl-2,2-dimethylhexan-3-one
CID 15584308
3-amino-3,5-dimethyloctan-4-one
CID 107890205
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-(15N)azanyl-2-methylbutanamide
CID 10844374
3,3,5-triethylheptane-2,4-dione
CID 141275596
4-ethyl-2-methyl-2-(methylamino)hexan-3-one
CID 116566544
2-amino-N-butan-2-yl-N,2-dimethylbutanamide
CID 79797343
2,2,4-triethyl-3-oxohexanal
CID 518260
ethane;2-ethylbutanoic acid
CID 142229949
CID 87086045
CID 87086045
CID 123134376
CID 123134376

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-3-methylheptan-4-one?
The IUPAC name of 3-amino-5-ethyl-3-methylheptan-4-one (CID 116590488) is 3-amino-5-ethyl-3-methylheptan-4-one.
What is the SMILES notation for 3-amino-5-ethyl-3-methylheptan-4-one?
The canonical SMILES for 3-amino-5-ethyl-3-methylheptan-4-one is CCC(CC)C(=O)C(C)(N)CC.
What is the InChIKey of 3-amino-5-ethyl-3-methylheptan-4-one?
The InChIKey is IJGDCOYFWUDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-8(6-2)9(12)10(4,11)7-3/h8H,5-7,11H2,1-4H3.
What are the key properties of 3-amino-5-ethyl-3-methylheptan-4-one?
3-amino-5-ethyl-3-methylheptan-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-5-ethyl-3-methylheptan-4-one is sourced from PubChem (CID 116590488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).