1-amino-6-ethyl-3-methyldecan-4-one

C13H27NO — CID 116594762

IUPAC1-amino-6-ethyl-3-methyldecan-4-one
SMILESCCCCC(CC)CC(=O)C(C)CCN
InChIInChI=1S/C13H27NO/c1-4-6-7-12(5-2)10-13(15)11(3)8-9-14/h11-12H,4-10,14H2,1-3H3
InChIKeyAVAKSJCUTGFZOF-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.15
Rot. Bonds9

About 1-amino-6-ethyl-3-methyldecan-4-one

1-amino-6-ethyl-3-methyldecan-4-one (PubChem CID 116594762) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-amino-6-ethyl-3-methyldecan-4-one.

Molecular Properties

Compound Name1-amino-6-ethyl-3-methyldecan-4-one
PubChem CID116594762
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-amino-6-ethyl-3-methyldecan-4-one
SMILESCCCCC(CC)CC(=O)C(C)CCN
InChIInChI=1S/C13H27NO/c1-4-6-7-12(5-2)10-13(15)11(3)8-9-14/h11-12H,4-10,14H2,1-3H3
InChIKeyAVAKSJCUTGFZOF-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
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zinc bis(3-ethylheptanoate)
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2-ethylhexyl 2-methylbutanoate
CID 3023949
3-ethylheptaneperoxoic acid
CID 54542102
3-amino-6-ethyl-1-methylsulfonyldecan-4-one
CID 116551854
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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-ethyl-3-methyldecan-4-one?
The IUPAC name of 1-amino-6-ethyl-3-methyldecan-4-one (CID 116594762) is 1-amino-6-ethyl-3-methyldecan-4-one.
What is the SMILES notation for 1-amino-6-ethyl-3-methyldecan-4-one?
The canonical SMILES for 1-amino-6-ethyl-3-methyldecan-4-one is CCCCC(CC)CC(=O)C(C)CCN.
What is the InChIKey of 1-amino-6-ethyl-3-methyldecan-4-one?
The InChIKey is AVAKSJCUTGFZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-7-12(5-2)10-13(15)11(3)8-9-14/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-amino-6-ethyl-3-methyldecan-4-one?
1-amino-6-ethyl-3-methyldecan-4-one has a molecular weight of 213.36 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-ethyl-3-methyldecan-4-one is sourced from PubChem (CID 116594762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).