N,N-dibutyl-2H-pyran-3-amine

C13H23NO — CID 173144248

IUPACN,N-dibutyl-2H-pyran-3-amine
SMILESCCCCN(CCCC)C1=CC=COC1
InChIInChI=1S/C13H23NO/c1-3-5-9-14(10-6-4-2)13-8-7-11-15-12-13/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyLDUWYMNFUJQCAJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.32
Rot. Bonds7

About N,N-dibutyl-2H-pyran-3-amine

N,N-dibutyl-2H-pyran-3-amine (PubChem CID 173144248) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-dibutyl-2H-pyran-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-2H-pyran-3-amine
PubChem CID173144248
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-dibutyl-2H-pyran-3-amine
SMILESCCCCN(CCCC)C1=CC=COC1
InChIInChI=1S/C13H23NO/c1-3-5-9-14(10-6-4-2)13-8-7-11-15-12-13/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyLDUWYMNFUJQCAJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2H-pyran-3-amine?
The IUPAC name of N,N-dibutyl-2H-pyran-3-amine (CID 173144248) is N,N-dibutyl-2H-pyran-3-amine.
What is the SMILES notation for N,N-dibutyl-2H-pyran-3-amine?
The canonical SMILES for N,N-dibutyl-2H-pyran-3-amine is CCCCN(CCCC)C1=CC=COC1.
What is the InChIKey of N,N-dibutyl-2H-pyran-3-amine?
The InChIKey is LDUWYMNFUJQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-9-14(10-6-4-2)13-8-7-11-15-12-13/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of N,N-dibutyl-2H-pyran-3-amine?
N,N-dibutyl-2H-pyran-3-amine has a molecular weight of 209.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2H-pyran-3-amine is sourced from PubChem (CID 173144248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).