5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine

C10H17BrN4 — CID 103517564

IUPAC5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
SMILESCN(C)CCCNc1c(N)cncc1Br
InChIInChI=1S/C10H17BrN4/c1-15(2)5-3-4-14-10-8(11)6-13-7-9(10)12/h6-7H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyAKENNJVGSDWTJV-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.79
Rot. Bonds5

About 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine

5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine (PubChem CID 103517564) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
PubChem CID103517564
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
SMILESCN(C)CCCNc1c(N)cncc1Br
InChIInChI=1S/C10H17BrN4/c1-15(2)5-3-4-14-10-8(11)6-13-7-9(10)12/h6-7H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyAKENNJVGSDWTJV-UHFFFAOYSA-N
XLogP1.79
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-N-(3-butoxypropyl)pyridine-3,4-diamine
CID 103518486
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
CID 103518774
5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine
CID 103517575
N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
CID 114525073
1-N-[3-(dimethylamino)propyl]-2,6-difluorobenzene-1,4-diamine
CID 61016451
5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
CID 103518035
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 103518565
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518122
N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 66342800

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine (CID 103517564) is 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine is CN(C)CCCNc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine?
The InChIKey is AKENNJVGSDWTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-15(2)5-3-4-14-10-8(11)6-13-7-9(10)12/h6-7H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine?
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine has a molecular weight of 273.18 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine is sourced from PubChem (CID 103517564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).