N-butyl-N-methyl-2H-pyran-3-amine

C10H17NO — CID 173144236

IUPACN-butyl-N-methyl-2H-pyran-3-amine
SMILESCCCCN(C)C1=CC=COC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11(2)10-6-5-8-12-9-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyCKYACOJXEONPQV-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.15
Rot. Bonds4

About N-butyl-N-methyl-2H-pyran-3-amine

N-butyl-N-methyl-2H-pyran-3-amine (PubChem CID 173144236) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-butyl-N-methyl-2H-pyran-3-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-2H-pyran-3-amine
PubChem CID173144236
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-butyl-N-methyl-2H-pyran-3-amine
SMILESCCCCN(C)C1=CC=COC1
InChIInChI=1S/C10H17NO/c1-3-4-7-11(2)10-6-5-8-12-9-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyCKYACOJXEONPQV-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2H-pyran-3-amine?
The IUPAC name of N-butyl-N-methyl-2H-pyran-3-amine (CID 173144236) is N-butyl-N-methyl-2H-pyran-3-amine.
What is the SMILES notation for N-butyl-N-methyl-2H-pyran-3-amine?
The canonical SMILES for N-butyl-N-methyl-2H-pyran-3-amine is CCCCN(C)C1=CC=COC1.
What is the InChIKey of N-butyl-N-methyl-2H-pyran-3-amine?
The InChIKey is CKYACOJXEONPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-7-11(2)10-6-5-8-12-9-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2H-pyran-3-amine?
N-butyl-N-methyl-2H-pyran-3-amine has a molecular weight of 167.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2H-pyran-3-amine is sourced from PubChem (CID 173144236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).