5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine

C15H24BrN3 — CID 79718768

IUPAC5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCCN1CCCCC1C
InChIInChI=1S/C15H24BrN3/c1-12-10-14(16)11-18-15(12)17-7-5-9-19-8-4-3-6-13(19)2/h10-11,13H,3-9H2,1-2H3,(H,17,18)
InChIKeyYVCBOHWHTVWRIA-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.83
Rot. Bonds5

About 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine

5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine (PubChem CID 79718768) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
PubChem CID79718768
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCCN1CCCCC1C
InChIInChI=1S/C15H24BrN3/c1-12-10-14(16)11-18-15(12)17-7-5-9-19-8-4-3-6-13(19)2/h10-11,13H,3-9H2,1-2H3,(H,17,18)
InChIKeyYVCBOHWHTVWRIA-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
CID 81229069
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3068040
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine (CID 79718768) is 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine is Cc1cc(Br)cnc1NCCCN1CCCCC1C.
What is the InChIKey of 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
The InChIKey is YVCBOHWHTVWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12-10-14(16)11-18-15(12)17-7-5-9-19-8-4-3-6-13(19)2/h10-11,13H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 79718768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).