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

C11H21NO2 — CID 107138485

IUPAC3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
SMILESCC(C)C(N)CC(=O)C1CCCOC1
InChIInChI=1S/C11H21NO2/c1-8(2)10(12)6-11(13)9-4-3-5-14-7-9/h8-10H,3-7,12H2,1-2H3
InChIKeyDOPICMXQTUDAEM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.36
Rot. Bonds4

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

3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one (PubChem CID 107138485) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
PubChem CID107138485
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
SMILESCC(C)C(N)CC(=O)C1CCCOC1
InChIInChI=1S/C11H21NO2/c1-8(2)10(12)6-11(13)9-4-3-5-14-7-9/h8-10H,3-7,12H2,1-2H3
InChIKeyDOPICMXQTUDAEM-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
The IUPAC name of 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one (CID 107138485) is 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one.
What is the SMILES notation for 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
The canonical SMILES for 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one is CC(C)C(N)CC(=O)C1CCCOC1.
What is the InChIKey of 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
The InChIKey is DOPICMXQTUDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(12)6-11(13)9-4-3-5-14-7-9/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one?
3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-1-(oxan-3-yl)pentan-1-one is sourced from PubChem (CID 107138485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).