3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one

C11H19NO2 — CID 102648477

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-8(2)9(12)7-10(13)11-5-3-4-6-14-11/h5,8-9H,3-4,6-7,12H2,1-2H3
InChIKeyNKMJREOVZNEPHM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one (PubChem CID 102648477) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
PubChem CID102648477
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-8(2)9(12)7-10(13)11-5-3-4-6-14-11/h5,8-9H,3-4,6-7,12H2,1-2H3
InChIKeyNKMJREOVZNEPHM-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one (CID 102648477) is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one is CC(C)C(N)CC(=O)C1=CCCCO1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
The InChIKey is NKMJREOVZNEPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)9(12)7-10(13)11-5-3-4-6-14-11/h5,8-9H,3-4,6-7,12H2,1-2H3.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one?
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one is sourced from PubChem (CID 102648477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).