5-bromo-N-propan-2-yl-N-propylpyridin-3-amine

C11H17BrN2 — CID 104531552

IUPAC5-bromo-N-propan-2-yl-N-propylpyridin-3-amine
SMILESCCCN(c1cncc(Br)c1)C(C)C
InChIInChI=1S/C11H17BrN2/c1-4-5-14(9(2)3)11-6-10(12)7-13-8-11/h6-9H,4-5H2,1-3H3
InChIKeyCQDHFLDCWLYBBX-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine

5-bromo-N-propan-2-yl-N-propylpyridin-3-amine (PubChem CID 104531552) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-propan-2-yl-N-propylpyridin-3-amine
PubChem CID104531552
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name5-bromo-N-propan-2-yl-N-propylpyridin-3-amine
SMILESCCCN(c1cncc(Br)c1)C(C)C
InChIInChI=1S/C11H17BrN2/c1-4-5-14(9(2)3)11-6-10(12)7-13-8-11/h6-9H,4-5H2,1-3H3
InChIKeyCQDHFLDCWLYBBX-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine 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

3-N-methyl-5-N-propan-2-yl-5-N-propylpyridine-3,5-diamine
CID 104532814
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 115657240
5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
CID 115657067
5-bromo-N-cyclopropyl-N-propylpyridin-3-amine
CID 104531553
3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
CID 104531758
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide
CID 129392312
2-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 62300700
5-N-(2-methoxyethyl)-5-N-propan-2-yl-3-N-propylpyridine-3,5-diamine
CID 113424214
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
CID 114194238
3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
CID 113423873
[6-[propan-2-yl(propyl)amino]pyrazin-2-yl]methanol
CID 66466147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine?
The IUPAC name of 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine (CID 104531552) is 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine is CCCN(c1cncc(Br)c1)C(C)C.
What is the InChIKey of 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine?
The InChIKey is CQDHFLDCWLYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-4-5-14(9(2)3)11-6-10(12)7-13-8-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine?
5-bromo-N-propan-2-yl-N-propylpyridin-3-amine has a molecular weight of 257.17 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propan-2-yl-N-propylpyridin-3-amine is sourced from PubChem (CID 104531552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).