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

C12H21NO — CID 90731450

IUPACN-butyl-N-propyl-4H-pyran-3-amine
SMILESCCCCN(CCC)C1=COC=CC1
InChIInChI=1S/C12H21NO/c1-3-5-9-13(8-4-2)12-7-6-10-14-11-12/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyQAGRYAXJFRTPAT-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.27
Rot. Bonds6

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

N-butyl-N-propyl-4H-pyran-3-amine (PubChem CID 90731450) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-butyl-N-propyl-4H-pyran-3-amine.

Molecular Properties

Compound NameN-butyl-N-propyl-4H-pyran-3-amine
PubChem CID90731450
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-butyl-N-propyl-4H-pyran-3-amine
SMILESCCCCN(CCC)C1=COC=CC1
InChIInChI=1S/C12H21NO/c1-3-5-9-13(8-4-2)12-7-6-10-14-11-12/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyQAGRYAXJFRTPAT-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propyl-4H-pyran-3-amine?
The IUPAC name of N-butyl-N-propyl-4H-pyran-3-amine (CID 90731450) is N-butyl-N-propyl-4H-pyran-3-amine.
What is the SMILES notation for N-butyl-N-propyl-4H-pyran-3-amine?
The canonical SMILES for N-butyl-N-propyl-4H-pyran-3-amine is CCCCN(CCC)C1=COC=CC1.
What is the InChIKey of N-butyl-N-propyl-4H-pyran-3-amine?
The InChIKey is QAGRYAXJFRTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-9-13(8-4-2)12-7-6-10-14-11-12/h6,10-11H,3-5,7-9H2,1-2H3.
What are the key properties of N-butyl-N-propyl-4H-pyran-3-amine?
N-butyl-N-propyl-4H-pyran-3-amine has a molecular weight of 195.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propyl-4H-pyran-3-amine is sourced from PubChem (CID 90731450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).