1-butylpyridin-2-imine

C9H14N2 — CID 12924177

IUPAC1-butylpyridin-2-imine
SMILES[H]/N=c1\ccccn1CCCC
InChIInChI=1S/C9H14N2/c1-2-3-7-11-8-5-4-6-9(11)10/h4-6,8,10H,2-3,7H2,1H3/b10-9+
InChIKeyOFRXKYMHDBRLDO-MDZDMXLPSA-N
MW150.22 g/mol
LogP1.77
Rot. Bonds3

About 1-butylpyridin-2-imine

1-butylpyridin-2-imine (PubChem CID 12924177) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-butylpyridin-2-imine.

Molecular Properties

Compound Name1-butylpyridin-2-imine
PubChem CID12924177
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-butylpyridin-2-imine
SMILES[H]/N=c1\ccccn1CCCC
InChIInChI=1S/C9H14N2/c1-2-3-7-11-8-5-4-6-9(11)10/h4-6,8,10H,2-3,7H2,1H3/b10-9+
InChIKeyOFRXKYMHDBRLDO-MDZDMXLPSA-N
XLogP1.77
TPSA28.78 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butylpyridin-2-imine?
The IUPAC name of 1-butylpyridin-2-imine (CID 12924177) is 1-butylpyridin-2-imine.
What is the SMILES notation for 1-butylpyridin-2-imine?
The canonical SMILES for 1-butylpyridin-2-imine is [H]/N=c1\ccccn1CCCC.
What is the InChIKey of 1-butylpyridin-2-imine?
The InChIKey is OFRXKYMHDBRLDO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-7-11-8-5-4-6-9(11)10/h4-6,8,10H,2-3,7H2,1H3/b10-9+.
What are the key properties of 1-butylpyridin-2-imine?
1-butylpyridin-2-imine has a molecular weight of 150.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyridin-2-imine is sourced from PubChem (CID 12924177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).