1-(4-aminooxan-4-yl)-2-methylpentan-1-one

C11H21NO2 — CID 107890348

IUPAC1-(4-aminooxan-4-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-9(2)10(13)11(12)5-7-14-8-6-11/h9H,3-8,12H2,1-2H3
InChIKeyLNHSTPVQHHMBOV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.50
Rot. Bonds4

About 1-(4-aminooxan-4-yl)-2-methylpentan-1-one

1-(4-aminooxan-4-yl)-2-methylpentan-1-one (PubChem CID 107890348) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-methylpentan-1-one
PubChem CID107890348
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(4-aminooxan-4-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-9(2)10(13)11(12)5-7-14-8-6-11/h9H,3-8,12H2,1-2H3
InChIKeyLNHSTPVQHHMBOV-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one
CID 116579573
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one
CID 116576587
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide
CID 104551857
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
4-amino-N-butyloxane-4-carboxamide
CID 115293500
1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
CID 107890324
1-[1-(aminomethyl)cyclohexyl]-2-methylpentan-1-one
CID 107890311

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-methylpentan-1-one (CID 107890348) is 1-(4-aminooxan-4-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-methylpentan-1-one is CCCC(C)C(=O)C1(N)CCOCC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-methylpentan-1-one?
The InChIKey is LNHSTPVQHHMBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-9(2)10(13)11(12)5-7-14-8-6-11/h9H,3-8,12H2,1-2H3.
What are the key properties of 1-(4-aminooxan-4-yl)-2-methylpentan-1-one?
1-(4-aminooxan-4-yl)-2-methylpentan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-2-methylpentan-1-one is sourced from PubChem (CID 107890348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).