N-butyl-N-ethyl-2H-pyran-3-amine

C11H19NO — CID 173144240

IUPACN-butyl-N-ethyl-2H-pyran-3-amine
SMILESCCCCN(CC)C1=CC=COC1
InChIInChI=1S/C11H19NO/c1-3-5-8-12(4-2)11-7-6-9-13-10-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyIFOKSZXTDSWVRC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.54
Rot. Bonds5

About N-butyl-N-ethyl-2H-pyran-3-amine

N-butyl-N-ethyl-2H-pyran-3-amine (PubChem CID 173144240) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-butyl-N-ethyl-2H-pyran-3-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-2H-pyran-3-amine
PubChem CID173144240
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-butyl-N-ethyl-2H-pyran-3-amine
SMILESCCCCN(CC)C1=CC=COC1
InChIInChI=1S/C11H19NO/c1-3-5-8-12(4-2)11-7-6-9-13-10-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyIFOKSZXTDSWVRC-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-ethyl-2H-pyran-3-amine 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 N-butyl-N-ethyl-2H-pyran-3-amine?
The IUPAC name of N-butyl-N-ethyl-2H-pyran-3-amine (CID 173144240) is N-butyl-N-ethyl-2H-pyran-3-amine.
What is the SMILES notation for N-butyl-N-ethyl-2H-pyran-3-amine?
The canonical SMILES for N-butyl-N-ethyl-2H-pyran-3-amine is CCCCN(CC)C1=CC=COC1.
What is the InChIKey of N-butyl-N-ethyl-2H-pyran-3-amine?
The InChIKey is IFOKSZXTDSWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-8-12(4-2)11-7-6-9-13-10-11/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2H-pyran-3-amine?
N-butyl-N-ethyl-2H-pyran-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2H-pyran-3-amine is sourced from PubChem (CID 173144240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).