5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine

C15H26BrN3 — CID 107869179

IUPAC5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine
SMILESCC(C)CCN(CCC(C)C)c1ncc(Br)cc1N
InChIInChI=1S/C15H26BrN3/c1-11(2)5-7-19(8-6-12(3)4)15-14(17)9-13(16)10-18-15/h9-12H,5-8,17H2,1-4H3
InChIKeyFGEBSVHHBFHYGP-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.32
Rot. Bonds7

About 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine

5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine (PubChem CID 107869179) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine
PubChem CID107869179
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine
SMILESCC(C)CCN(CCC(C)C)c1ncc(Br)cc1N
InChIInChI=1S/C15H26BrN3/c1-11(2)5-7-19(8-6-12(3)4)15-14(17)9-13(16)10-18-15/h9-12H,5-8,17H2,1-4H3
InChIKeyFGEBSVHHBFHYGP-UHFFFAOYSA-N
XLogP4.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-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-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 54986753
5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 79478026
5-bromo-2-N-ethyl-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 61444777
3-[(3-amino-5-bromo-2-pyridinyl)-methylamino]butanenitrile
CID 63225630
5-bromo-3-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943847
3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 106949135
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
2-N,2-N-bis(3-methylbutyl)pyrimidine-2,5-diamine
CID 114011099
5-bromo-2-N-(3-methoxypropyl)-2-N-methylpyridine-2,3-diamine
CID 59631539
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine (CID 107869179) is 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine is CC(C)CCN(CCC(C)C)c1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine?
The InChIKey is FGEBSVHHBFHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-11(2)5-7-19(8-6-12(3)4)15-14(17)9-13(16)10-18-15/h9-12H,5-8,17H2,1-4H3.
What are the key properties of 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine?
5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine has a molecular weight of 328.30 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine is sourced from PubChem (CID 107869179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).