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

C11H19NO — CID 173143953

IUPACN,N-dipropyl-2H-pyran-3-amine
SMILESCCCN(CCC)C1=CC=COC1
InChIInChI=1S/C11H19NO/c1-3-7-12(8-4-2)11-6-5-9-13-10-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyYPMDPWOOBWLVNZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.54
Rot. Bonds5

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

N,N-dipropyl-2H-pyran-3-amine (PubChem CID 173143953) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-dipropyl-2H-pyran-3-amine.

Molecular Properties

Compound NameN,N-dipropyl-2H-pyran-3-amine
PubChem CID173143953
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,N-dipropyl-2H-pyran-3-amine
SMILESCCCN(CCC)C1=CC=COC1
InChIInChI=1S/C11H19NO/c1-3-7-12(8-4-2)11-6-5-9-13-10-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyYPMDPWOOBWLVNZ-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

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2H-pyran-3-amine?
The IUPAC name of N,N-dipropyl-2H-pyran-3-amine (CID 173143953) is N,N-dipropyl-2H-pyran-3-amine.
What is the SMILES notation for N,N-dipropyl-2H-pyran-3-amine?
The canonical SMILES for N,N-dipropyl-2H-pyran-3-amine is CCCN(CCC)C1=CC=COC1.
What is the InChIKey of N,N-dipropyl-2H-pyran-3-amine?
The InChIKey is YPMDPWOOBWLVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-12(8-4-2)11-6-5-9-13-10-11/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of N,N-dipropyl-2H-pyran-3-amine?
N,N-dipropyl-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,N-dipropyl-2H-pyran-3-amine is sourced from PubChem (CID 173143953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).