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

C9H15NO — CID 173144124

IUPACN-methyl-N-propyl-2H-pyran-3-amine
SMILESCCCN(C)C1=CC=COC1
InChIInChI=1S/C9H15NO/c1-3-6-10(2)9-5-4-7-11-8-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeySCXPUUPBEUOPBT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds3

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

N-methyl-N-propyl-2H-pyran-3-amine (PubChem CID 173144124) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-methyl-N-propyl-2H-pyran-3-amine.

Molecular Properties

Compound NameN-methyl-N-propyl-2H-pyran-3-amine
PubChem CID173144124
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-methyl-N-propyl-2H-pyran-3-amine
SMILESCCCN(C)C1=CC=COC1
InChIInChI=1S/C9H15NO/c1-3-6-10(2)9-5-4-7-11-8-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeySCXPUUPBEUOPBT-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-2H-pyran-3-amine?
The IUPAC name of N-methyl-N-propyl-2H-pyran-3-amine (CID 173144124) is N-methyl-N-propyl-2H-pyran-3-amine.
What is the SMILES notation for N-methyl-N-propyl-2H-pyran-3-amine?
The canonical SMILES for N-methyl-N-propyl-2H-pyran-3-amine is CCCN(C)C1=CC=COC1.
What is the InChIKey of N-methyl-N-propyl-2H-pyran-3-amine?
The InChIKey is SCXPUUPBEUOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-10(2)9-5-4-7-11-8-9/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of N-methyl-N-propyl-2H-pyran-3-amine?
N-methyl-N-propyl-2H-pyran-3-amine has a molecular weight of 153.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2H-pyran-3-amine is sourced from PubChem (CID 173144124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).