1-(4-methyl-2H-pyran-6-yl)propan-1-amine

C9H15NO — CID 123661147

IUPAC1-(4-methyl-2H-pyran-6-yl)propan-1-amine
SMILESCCC(N)C1=CC(C)=CCO1
InChIInChI=1S/C9H15NO/c1-3-8(10)9-6-7(2)4-5-11-9/h4,6,8H,3,5,10H2,1-2H3
InChIKeyNOHJEQOMCDVXTL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds2

About 1-(4-methyl-2H-pyran-6-yl)propan-1-amine

1-(4-methyl-2H-pyran-6-yl)propan-1-amine (PubChem CID 123661147) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(4-methyl-2H-pyran-6-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-2H-pyran-6-yl)propan-1-amine
PubChem CID123661147
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(4-methyl-2H-pyran-6-yl)propan-1-amine
SMILESCCC(N)C1=CC(C)=CCO1
InChIInChI=1S/C9H15NO/c1-3-8(10)9-6-7(2)4-5-11-9/h4,6,8H,3,5,10H2,1-2H3
InChIKeyNOHJEQOMCDVXTL-UHFFFAOYSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2H-pyran-6-yl)propan-1-amine?
The IUPAC name of 1-(4-methyl-2H-pyran-6-yl)propan-1-amine (CID 123661147) is 1-(4-methyl-2H-pyran-6-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methyl-2H-pyran-6-yl)propan-1-amine?
The canonical SMILES for 1-(4-methyl-2H-pyran-6-yl)propan-1-amine is CCC(N)C1=CC(C)=CCO1.
What is the InChIKey of 1-(4-methyl-2H-pyran-6-yl)propan-1-amine?
The InChIKey is NOHJEQOMCDVXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8(10)9-6-7(2)4-5-11-9/h4,6,8H,3,5,10H2,1-2H3.
What are the key properties of 1-(4-methyl-2H-pyran-6-yl)propan-1-amine?
1-(4-methyl-2H-pyran-6-yl)propan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2H-pyran-6-yl)propan-1-amine is sourced from PubChem (CID 123661147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).