5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine

C15H24BrN3 — CID 106642340

IUPAC5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCCCN1)c1ncc(Br)cc1C
InChIInChI=1S/C15H24BrN3/c1-3-8-19(11-14-6-4-5-7-17-14)15-12(2)9-13(16)10-18-15/h9-10,14,17H,3-8,11H2,1-2H3
InChIKeyWFURINOXHIGMNC-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.51
Rot. Bonds5

About 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine

5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine (PubChem CID 106642340) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
PubChem CID106642340
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CCCCN1)c1ncc(Br)cc1C
InChIInChI=1S/C15H24BrN3/c1-3-8-19(11-14-6-4-5-7-17-14)15-12(2)9-13(16)10-18-15/h9-10,14,17H,3-8,11H2,1-2H3
InChIKeyWFURINOXHIGMNC-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 106642309
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620585
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805325
5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
CID 79717731
N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106642542
1-methyl-N-(piperidin-2-ylmethyl)-N-propylimidazol-2-amine
CID 106642484
2-[(5-bromo-3-nitro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621301
5,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106642559

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine (CID 106642340) is 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine is CCCN(CC1CCCCN1)c1ncc(Br)cc1C.
What is the InChIKey of 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
The InChIKey is WFURINOXHIGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-8-19(11-14-6-4-5-7-17-14)15-12(2)9-13(16)10-18-15/h9-10,14,17H,3-8,11H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine?
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.51, 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-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 106642340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).