4-N,5-N-dipropyl-2H-pyran-4,5-diamine

C11H20N2O — CID 23374279

IUPAC4-N,5-N-dipropyl-2H-pyran-4,5-diamine
SMILESCCCNC1=CCOC=C1NCCC
InChIInChI=1S/C11H20N2O/c1-3-6-12-10-5-8-14-9-11(10)13-7-4-2/h5,9,12-13H,3-4,6-8H2,1-2H3
InChIKeyFXKKBDWUUMPLRH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.74
Rot. Bonds6

About 4-N,5-N-dipropyl-2H-pyran-4,5-diamine

4-N,5-N-dipropyl-2H-pyran-4,5-diamine (PubChem CID 23374279) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-N,5-N-dipropyl-2H-pyran-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N-dipropyl-2H-pyran-4,5-diamine
PubChem CID23374279
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-N,5-N-dipropyl-2H-pyran-4,5-diamine
SMILESCCCNC1=CCOC=C1NCCC
InChIInChI=1S/C11H20N2O/c1-3-6-12-10-5-8-14-9-11(10)13-7-4-2/h5,9,12-13H,3-4,6-8H2,1-2H3
InChIKeyFXKKBDWUUMPLRH-UHFFFAOYSA-N
XLogP1.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-dipropyl-2H-pyran-4,5-diamine?
The IUPAC name of 4-N,5-N-dipropyl-2H-pyran-4,5-diamine (CID 23374279) is 4-N,5-N-dipropyl-2H-pyran-4,5-diamine.
What is the SMILES notation for 4-N,5-N-dipropyl-2H-pyran-4,5-diamine?
The canonical SMILES for 4-N,5-N-dipropyl-2H-pyran-4,5-diamine is CCCNC1=CCOC=C1NCCC.
What is the InChIKey of 4-N,5-N-dipropyl-2H-pyran-4,5-diamine?
The InChIKey is FXKKBDWUUMPLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-6-12-10-5-8-14-9-11(10)13-7-4-2/h5,9,12-13H,3-4,6-8H2,1-2H3.
What are the key properties of 4-N,5-N-dipropyl-2H-pyran-4,5-diamine?
4-N,5-N-dipropyl-2H-pyran-4,5-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dipropyl-2H-pyran-4,5-diamine is sourced from PubChem (CID 23374279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).