N-butyl-N-ethyl-4H-pyran-3-amine

C11H19NO — CID 91195954

IUPACN-butyl-N-ethyl-4H-pyran-3-amine
SMILESCCCCN(CC)C1=COC=CC1
InChIInChI=1S/C11H19NO/c1-3-5-8-12(4-2)11-7-6-9-13-10-11/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeySIDYUDRAWOFIKD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.88
Rot. Bonds5

About N-butyl-N-ethyl-4H-pyran-3-amine

N-butyl-N-ethyl-4H-pyran-3-amine (PubChem CID 91195954) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-butyl-N-ethyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-4H-pyran-3-amine
PubChem CID91195954
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-butyl-N-ethyl-4H-pyran-3-amine
SMILESCCCCN(CC)C1=COC=CC1
InChIInChI=1S/C11H19NO/c1-3-5-8-12(4-2)11-7-6-9-13-10-11/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeySIDYUDRAWOFIKD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4H-pyran-3-amine?
The IUPAC name of N-butyl-N-ethyl-4H-pyran-3-amine (CID 91195954) is N-butyl-N-ethyl-4H-pyran-3-amine.
What is the SMILES notation for N-butyl-N-ethyl-4H-pyran-3-amine?
The canonical SMILES for N-butyl-N-ethyl-4H-pyran-3-amine is CCCCN(CC)C1=COC=CC1.
What is the InChIKey of N-butyl-N-ethyl-4H-pyran-3-amine?
The InChIKey is SIDYUDRAWOFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-8-12(4-2)11-7-6-9-13-10-11/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-4H-pyran-3-amine?
N-butyl-N-ethyl-4H-pyran-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.88, 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-4H-pyran-3-amine is sourced from PubChem (CID 91195954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).