1-butyl-2-iminopyridin-3-amine

C9H15N3 — CID 46839020

IUPAC1-butyl-2-iminopyridin-3-amine
SMILES[H]/N=c1/c(N)cccn1CCCC
InChIInChI=1S/C9H15N3/c1-2-3-6-12-7-4-5-8(10)9(12)11/h4-5,7,11H,2-3,6,10H2,1H3/b11-9-
InChIKeyAQWZNXYWOKUFJG-LUAWRHEFSA-N
MW165.24 g/mol
LogP1.35
Rot. Bonds3

About 1-butyl-2-iminopyridin-3-amine

1-butyl-2-iminopyridin-3-amine (PubChem CID 46839020) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-butyl-2-iminopyridin-3-amine.

Molecular Properties

Compound Name1-butyl-2-iminopyridin-3-amine
PubChem CID46839020
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-butyl-2-iminopyridin-3-amine
SMILES[H]/N=c1/c(N)cccn1CCCC
InChIInChI=1S/C9H15N3/c1-2-3-6-12-7-4-5-8(10)9(12)11/h4-5,7,11H,2-3,6,10H2,1H3/b11-9-
InChIKeyAQWZNXYWOKUFJG-LUAWRHEFSA-N
XLogP1.35
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Iminoquinolizine
CID 129799109
1,2-Dihydro-2-imino-1-methyl-3-pyridinamine
CID 45087144
1-Tert-butylpyridin-2-imine
CID 58097190
1-Propan-2-ylpyridin-2-imine
CID 68347865
1-hydroxy-2-imino-N,N-dipropylpyridin-3-amine
CID 69616022
N,N-diethyl-1-hydroxy-2-iminopyridin-3-amine
CID 69616168
1-But-1-en-2-ylpyridin-2-imine
CID 123544074
5-Chloro-1-prop-1-en-2-ylpyridin-2-imine
CID 123627508
5-[Ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride
CID 123670445
1-(3-Methylbut-1-en-2-yl)pyridin-2-imine
CID 123794310
1-Prop-1-en-2-ylpyridin-2-imine
CID 123881417
5-Methylidene-1-propylpyrrol-2-imine
CID 123930038

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-iminopyridin-3-amine?
The IUPAC name of 1-butyl-2-iminopyridin-3-amine (CID 46839020) is 1-butyl-2-iminopyridin-3-amine.
What is the SMILES notation for 1-butyl-2-iminopyridin-3-amine?
The canonical SMILES for 1-butyl-2-iminopyridin-3-amine is [H]/N=c1/c(N)cccn1CCCC.
What is the InChIKey of 1-butyl-2-iminopyridin-3-amine?
The InChIKey is AQWZNXYWOKUFJG-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-6-12-7-4-5-8(10)9(12)11/h4-5,7,11H,2-3,6,10H2,1H3/b11-9-.
What are the key properties of 1-butyl-2-iminopyridin-3-amine?
1-butyl-2-iminopyridin-3-amine has a molecular weight of 165.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-iminopyridin-3-amine is sourced from PubChem (CID 46839020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).