2-[methyl(oxan-4-yl)amino]pentan-3-one

C11H21NO2 — CID 64868191

IUPAC2-[methyl(oxan-4-yl)amino]pentan-3-one
SMILESCCC(=O)C(C)N(C)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-4-11(13)9(2)12(3)10-5-7-14-8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyMMDVQRMNFKRELF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds4

About 2-[methyl(oxan-4-yl)amino]pentan-3-one

2-[methyl(oxan-4-yl)amino]pentan-3-one (PubChem CID 64868191) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]pentan-3-one.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]pentan-3-one
PubChem CID64868191
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[methyl(oxan-4-yl)amino]pentan-3-one
SMILESCCC(=O)C(C)N(C)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-4-11(13)9(2)12(3)10-5-7-14-8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyMMDVQRMNFKRELF-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid
CID 64709217
(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
CID 129498676
2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
CID 121203502
5-[1-[methyl(oxan-4-yl)amino]ethyl]furan-2-carboxylic acid
CID 79084182
2-[methyl(oxepan-4-yl)amino]butanoic acid
CID 65080725
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
N-methyl-N-(3-methylbutan-2-yl)oxan-4-amine
CID 130651987
N-cyclopropyl-2-methyl-N-(oxan-4-yl)propanamide
CID 110873026
2-(oxan-4-ylsulfinyl)pentan-3-one
CID 64867402
2-(oxan-4-yloxy)pentan-3-one
CID 64867602
3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid
CID 103224554
3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64898082

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]pentan-3-one?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]pentan-3-one (CID 64868191) is 2-[methyl(oxan-4-yl)amino]pentan-3-one.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]pentan-3-one?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]pentan-3-one is CCC(=O)C(C)N(C)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]pentan-3-one?
The InChIKey is MMDVQRMNFKRELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(13)9(2)12(3)10-5-7-14-8-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-[methyl(oxan-4-yl)amino]pentan-3-one?
2-[methyl(oxan-4-yl)amino]pentan-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]pentan-3-one is sourced from PubChem (CID 64868191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).