3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine

C14H24BrN3 — CID 104506452

IUPAC3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(CC(C)C)CC(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-9(2)7-18(8-10(3)4)14-13(15)11(5)12(16)6-17-14/h6,9-10H,7-8,16H2,1-5H3
InChIKeySFAWPKCWIZWODB-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.85
Rot. Bonds5

About 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine (PubChem CID 104506452) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
PubChem CID104506452
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(CC(C)C)CC(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-9(2)7-18(8-10(3)4)14-13(15)11(5)12(16)6-17-14/h6,9-10H,7-8,16H2,1-5H3
InChIKeySFAWPKCWIZWODB-UHFFFAOYSA-N
XLogP3.85
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine 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-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 104506524
3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
CID 104506702
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952
5-bromo-4,6-dimethylpyridin-3-amine
CID 7060666
3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 104506605
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
CID 104506559
5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 54986753

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine (CID 104506452) is 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine is Cc1c(N)cnc(N(CC(C)C)CC(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
The InChIKey is SFAWPKCWIZWODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-9(2)7-18(8-10(3)4)14-13(15)11(5)12(16)6-17-14/h6,9-10H,7-8,16H2,1-5H3.
What are the key properties of 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine has a molecular weight of 314.27 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).