4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one

C11H21NO2 — CID 107138368

IUPAC4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
SMILESCC(C)(N)CCC(=O)C1CCCOC1
InChIInChI=1S/C11H21NO2/c1-11(2,12)6-5-10(13)9-4-3-7-14-8-9/h9H,3-8,12H2,1-2H3
InChIKeyIACXQHVFYHWBFX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.50
Rot. Bonds4

About 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one

4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one (PubChem CID 107138368) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
PubChem CID107138368
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
SMILESCC(C)(N)CCC(=O)C1CCCOC1
InChIInChI=1S/C11H21NO2/c1-11(2,12)6-5-10(13)9-4-3-7-14-8-9/h9H,3-8,12H2,1-2H3
InChIKeyIACXQHVFYHWBFX-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

4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
CID 65330284
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
1-(oxan-3-yl)pentan-1-one
CID 65332332
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
propyl 4-(oxan-3-yl)-4-oxobutanoate
CID 63738945
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
oxane-3-carboxamide
CID 22714381
4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
CID 105468455

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
The IUPAC name of 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one (CID 107138368) is 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one.
What is the SMILES notation for 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
The canonical SMILES for 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one is CC(C)(N)CCC(=O)C1CCCOC1.
What is the InChIKey of 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
The InChIKey is IACXQHVFYHWBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,12)6-5-10(13)9-4-3-7-14-8-9/h9H,3-8,12H2,1-2H3.
What are the key properties of 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
4-amino-4-methyl-1-(oxan-3-yl)pentan-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 4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one is sourced from PubChem (CID 107138368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).