4-butoxypyridin-3-amine

C9H14N2O — CID 43267465

IUPAC4-butoxypyridin-3-amine
SMILESCCCCOc1ccncc1N
InChIInChI=1S/C9H14N2O/c1-2-3-6-12-9-4-5-11-7-8(9)10/h4-5,7H,2-3,6,10H2,1H3
InChIKeyUGTAEUJHHMGQOH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.84
Rot. Bonds4

About 4-butoxypyridin-3-amine

4-butoxypyridin-3-amine (PubChem CID 43267465) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-butoxypyridin-3-amine.

Molecular Properties

Compound Name4-butoxypyridin-3-amine
PubChem CID43267465
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-butoxypyridin-3-amine
SMILESCCCCOc1ccncc1N
InChIInChI=1S/C9H14N2O/c1-2-3-6-12-9-4-5-11-7-8(9)10/h4-5,7H,2-3,6,10H2,1H3
InChIKeyUGTAEUJHHMGQOH-UHFFFAOYSA-N
XLogP1.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-Ethoxypyridin-3-yl)-1,4-diazepane
CID 22053540
5-Amino-2-butoxypyridine
CID 68314
4-Ethoxy-3-nitropyridine
CID 356305
3-Amino-2-methoxypyridine
CID 2737488
5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-ylamine
CID 21309646
5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-amine
CID 44327422
4-Ethoxy-3-nitropyridine hydrochloride
CID 12407497
4-Methoxy-3-nitropyridine
CID 355832
1-(5-Ethoxypyridin-3-yl)piperazine
CID 10750843
1-(5-Vinyloxypyridin-3-yl)piperazine
CID 11493499
1-(5-Butoxy-3-pyridinyl)-1,5-diazocane
CID 11494630
6-Ethoxypyridin-3-amine
CID 3040301

Frequently Asked Questions

What is the IUPAC name of 4-butoxypyridin-3-amine?
The IUPAC name of 4-butoxypyridin-3-amine (CID 43267465) is 4-butoxypyridin-3-amine.
What is the SMILES notation for 4-butoxypyridin-3-amine?
The canonical SMILES for 4-butoxypyridin-3-amine is CCCCOc1ccncc1N.
What is the InChIKey of 4-butoxypyridin-3-amine?
The InChIKey is UGTAEUJHHMGQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-6-12-9-4-5-11-7-8(9)10/h4-5,7H,2-3,6,10H2,1H3.
What are the key properties of 4-butoxypyridin-3-amine?
4-butoxypyridin-3-amine has a molecular weight of 166.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxypyridin-3-amine is sourced from PubChem (CID 43267465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).