5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine

C13H20BrN3O — CID 68556749

IUPAC5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
SMILESCN(CCCN1CCOCC1)c1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c1-16(13-4-3-12(14)11-15-13)5-2-6-17-7-9-18-10-8-17/h3-4,11H,2,5-10H2,1H3
InChIKeyNWHOPTXKGOKOFL-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.00
Rot. Bonds5

About 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine

5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine (PubChem CID 68556749) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
PubChem CID68556749
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
SMILESCN(CCCN1CCOCC1)c1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c1-16(13-4-3-12(14)11-15-13)5-2-6-17-7-9-18-10-8-17/h3-4,11H,2,5-10H2,1H3
InChIKeyNWHOPTXKGOKOFL-UHFFFAOYSA-N
XLogP2.00
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-morpholin-4-ylpropyl)-5-piperazin-1-ylpyridin-2-amine
CID 68513308
2-N-methyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 59225426
N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine
CID 68559270
2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 75422017
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
CID 121230567
N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 123906232
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
5-bromo-N-[2-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 115146882

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine (CID 68556749) is 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine is CN(CCCN1CCOCC1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The InChIKey is NWHOPTXKGOKOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-16(13-4-3-12(14)11-15-13)5-2-6-17-7-9-18-10-8-17/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine has a molecular weight of 314.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 68556749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).