5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine

C15H23BrN2O — CID 133440407

IUPAC5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
SMILESCCC(CC)C1CC(Nc2ccc(Br)cn2)CCO1
InChIInChI=1S/C15H23BrN2O/c1-3-11(4-2)14-9-13(7-8-19-14)18-15-6-5-12(16)10-17-15/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyZBKTZSYGRKXVJZ-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.24
Rot. Bonds5

About 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine

5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine (PubChem CID 133440407) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
PubChem CID133440407
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
SMILESCCC(CC)C1CC(Nc2ccc(Br)cn2)CCO1
InChIInChI=1S/C15H23BrN2O/c1-3-11(4-2)14-9-13(7-8-19-14)18-15-6-5-12(16)10-17-15/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyZBKTZSYGRKXVJZ-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-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

5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133461877
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
CID 103704828
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360
6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
CID 133461855
5-bromo-N-(3-methoxycyclopentyl)pyridin-2-amine
CID 103081976
6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
CID 133438757
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133440386
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine (CID 133440407) is 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine is CCC(CC)C1CC(Nc2ccc(Br)cn2)CCO1.
What is the InChIKey of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
The InChIKey is ZBKTZSYGRKXVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-11(4-2)14-9-13(7-8-19-14)18-15-6-5-12(16)10-17-15/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine has a molecular weight of 327.27 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 133440407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).