1-pyridin-2-ylbutan-1-amine

C9H14N2 — CID 22767593

IUPAC1-pyridin-2-ylbutan-1-amine
SMILESCCCC(N)c1ccccn1
InChIInChI=1S/C9H14N2/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3
InChIKeyBFKHSLAQEYFTPC-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.88
Rot. Bonds3

About 1-pyridin-2-ylbutan-1-amine

1-pyridin-2-ylbutan-1-amine (PubChem CID 22767593) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-pyridin-2-ylbutan-1-amine
PubChem CID22767593
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-pyridin-2-ylbutan-1-amine
SMILESCCCC(N)c1ccccn1
InChIInChI=1S/C9H14N2/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3
InChIKeyBFKHSLAQEYFTPC-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylbutan-1-amine?
The IUPAC name of 1-pyridin-2-ylbutan-1-amine (CID 22767593) is 1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for 1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for 1-pyridin-2-ylbutan-1-amine is CCCC(N)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylbutan-1-amine?
The InChIKey is BFKHSLAQEYFTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3.
What are the key properties of 1-pyridin-2-ylbutan-1-amine?
1-pyridin-2-ylbutan-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 22767593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).