5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine

C10H16BrN3O — CID 103518774

IUPAC5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
SMILESCN(C)CCCOc1c(N)cncc1Br
InChIInChI=1S/C10H16BrN3O/c1-14(2)4-3-5-15-10-8(11)6-13-7-9(10)12/h6-7H,3-5,12H2,1-2H3
InChIKeyIXGVEVYKXDAVQV-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.76
Rot. Bonds5

About 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine

5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine (PubChem CID 103518774) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
PubChem CID103518774
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
SMILESCN(C)CCCOc1c(N)cncc1Br
InChIInChI=1S/C10H16BrN3O/c1-14(2)4-3-5-15-10-8(11)6-13-7-9(10)12/h6-7H,3-5,12H2,1-2H3
InChIKeyIXGVEVYKXDAVQV-UHFFFAOYSA-N
XLogP1.76
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
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-[2-(dimethylamino)ethoxy]pyridin-3-amine
CID 103518771
5-bromo-4-propoxypyridin-3-amine
CID 103518752
5-bromo-4-(2-butoxyethoxy)pyridin-3-amine
CID 103518731
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494
4-[3-(dimethylamino)propoxy]pyrimidin-5-amine
CID 79919093
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698
5-bromo-4-(4-methylpentan-2-yloxy)pyridin-3-amine
CID 103518709
3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline
CID 114524612
3-[(5-bromo-1,3-thiazol-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 135198524
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 114837675
5-bromo-4-naphthalen-1-yloxypyridin-3-amine
CID 103518682

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine?
The IUPAC name of 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine (CID 103518774) is 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine is CN(C)CCCOc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine?
The InChIKey is IXGVEVYKXDAVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-14(2)4-3-5-15-10-8(11)6-13-7-9(10)12/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine?
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine has a molecular weight of 274.16 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine is sourced from PubChem (CID 103518774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).