1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine

C9H17NO — CID 55254961

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine
SMILESCCC(N)CC1CCC=CO1
InChIInChI=1S/C9H17NO/c1-2-8(10)7-9-5-3-4-6-11-9/h4,6,8-9H,2-3,5,7,10H2,1H3
InChIKeyHBXYGEANSXEZCX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.81
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine

1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine (PubChem CID 55254961) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine
PubChem CID55254961
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine
SMILESCCC(N)CC1CCC=CO1
InChIInChI=1S/C9H17NO/c1-2-8(10)7-9-5-3-4-6-11-9/h4,6,8-9H,2-3,5,7,10H2,1H3
InChIKeyHBXYGEANSXEZCX-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine (CID 55254961) is 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine is CCC(N)CC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine?
The InChIKey is HBXYGEANSXEZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8(10)7-9-5-3-4-6-11-9/h4,6,8-9H,2-3,5,7,10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine?
1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine is sourced from PubChem (CID 55254961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).