4-pyridin-4-ylbutan-2-amine;hydrobromide

C9H15BrN2 — CID 122657673

IUPAC4-pyridin-4-ylbutan-2-amine;hydrobromide
SMILESBr.CC(N)CCc1ccncc1
InChIInChI=1S/C9H14N2.BrH/c1-8(10)2-3-9-4-6-11-7-5-9;/h4-8H,2-3,10H2,1H3;1H
InChIKeyTVTQHJUEXLMWPL-UHFFFAOYSA-N
MW231.14 g/mol
LogP1.94
Rot. Bonds3

About 4-pyridin-4-ylbutan-2-amine;hydrobromide

4-pyridin-4-ylbutan-2-amine;hydrobromide (PubChem CID 122657673) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 4-pyridin-4-ylbutan-2-amine;hydrobromide.

Molecular Properties

Compound Name4-pyridin-4-ylbutan-2-amine;hydrobromide
PubChem CID122657673
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name4-pyridin-4-ylbutan-2-amine;hydrobromide
SMILESBr.CC(N)CCc1ccncc1
InChIInChI=1S/C9H14N2.BrH/c1-8(10)2-3-9-4-6-11-7-5-9;/h4-8H,2-3,10H2,1H3;1H
InChIKeyTVTQHJUEXLMWPL-UHFFFAOYSA-N
XLogP1.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-pyridin-4-ylbutan-2-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
CID 66231916
1-pyridin-4-ylhexan-3-amine
CID 105080578
(2S)-4-phenylbutan-2-amine
CID 6994564
2-methyl-5-pyridin-4-ylpent-1-en-3-amine
CID 105163804
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
4-(4-pyrimidin-5-ylphenyl)butan-2-amine
CID 82542215
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
1-pyridin-4-ylhept-5-yn-3-amine
CID 105112690
2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide
CID 22937449
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
4-(3,7-dimethyloctyl)pyridine
CID 139896876
1-pyridin-4-ylhex-5-en-3-amine
CID 105108635

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylbutan-2-amine;hydrobromide?
The IUPAC name of 4-pyridin-4-ylbutan-2-amine;hydrobromide (CID 122657673) is 4-pyridin-4-ylbutan-2-amine;hydrobromide.
What is the SMILES notation for 4-pyridin-4-ylbutan-2-amine;hydrobromide?
The canonical SMILES for 4-pyridin-4-ylbutan-2-amine;hydrobromide is Br.CC(N)CCc1ccncc1.
What is the InChIKey of 4-pyridin-4-ylbutan-2-amine;hydrobromide?
The InChIKey is TVTQHJUEXLMWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.BrH/c1-8(10)2-3-9-4-6-11-7-5-9;/h4-8H,2-3,10H2,1H3;1H.
What are the key properties of 4-pyridin-4-ylbutan-2-amine;hydrobromide?
4-pyridin-4-ylbutan-2-amine;hydrobromide has a molecular weight of 231.14 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylbutan-2-amine;hydrobromide is sourced from PubChem (CID 122657673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).