N,N-diethyl-4H-pyran-3-amine

C9H15NO — CID 91013463

IUPACN,N-diethyl-4H-pyran-3-amine
SMILESCCN(CC)C1=COC=CC1
InChIInChI=1S/C9H15NO/c1-3-10(4-2)9-6-5-7-11-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXRSYKTCEHPWCEW-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.10
Rot. Bonds3

About N,N-diethyl-4H-pyran-3-amine

N,N-diethyl-4H-pyran-3-amine (PubChem CID 91013463) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N,N-diethyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN,N-diethyl-4H-pyran-3-amine
PubChem CID91013463
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN,N-diethyl-4H-pyran-3-amine
SMILESCCN(CC)C1=COC=CC1
InChIInChI=1S/C9H15NO/c1-3-10(4-2)9-6-5-7-11-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXRSYKTCEHPWCEW-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4H-pyran-3-amine?
The IUPAC name of N,N-diethyl-4H-pyran-3-amine (CID 91013463) is N,N-diethyl-4H-pyran-3-amine.
What is the SMILES notation for N,N-diethyl-4H-pyran-3-amine?
The canonical SMILES for N,N-diethyl-4H-pyran-3-amine is CCN(CC)C1=COC=CC1.
What is the InChIKey of N,N-diethyl-4H-pyran-3-amine?
The InChIKey is XRSYKTCEHPWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-10(4-2)9-6-5-7-11-8-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N,N-diethyl-4H-pyran-3-amine?
N,N-diethyl-4H-pyran-3-amine has a molecular weight of 153.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4H-pyran-3-amine is sourced from PubChem (CID 91013463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).