N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine

C159H270ClF3N28 — CID 158063647

About N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine

N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 158063647) has the molecular formula C159H270ClF3N28 and a molecular weight of 2666.55 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

• Compound Name: N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine
• PubChem CID: 158063647
• Molecular Formula: C159H270ClF3N28
• Molecular Weight: 2666.55 g/mol
• Exact Mass: 2664.16
• IUPAC Name: N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine
• SMILES: CC(C)(C)CCCc1ccccn1.CC(C)(C)CCCc1cccnc1.CC(C)(C)CCCc1ccncc1.CC(C)(C)NCc1ccc(C(F)(F)F)nc1.CC(C)(C)NCc1ccccn1.CC(C)(C)NCc1cccnc1.CC(C)(C)NCc1ccncc1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCCc2ccccc2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCN(CCc2ccccn2)CC1.CC(C)NCc1ccc(Cl)nc1.CN(Cc1cccnc1)C(C)(C)C
• InChI: InChI=1S/C16H26N2.C14H23N3.C13H27N3.3C12H19N.C11H15F3N2.C11H25N3.C11H18N2.3C10H16N2.C9H13ClN2.C8H18N2/c1-15(2)18-13-11-17(12-14-18)10-6-9-16-7-4-3-5-8-16;1-13(2)17-11-9-16(10-12-17)8-6-14-5-3-4-7-15-14;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-12(2,3)8-4-6-11-7-5-9-13-10-11;1-12(2,3)8-4-5-11-6-9-13-10-7-11;1-12(2,3)9-6-8-11-7-4-5-10-13-11;1-10(2,3)16-7-8-4-5-9(15-6-8)11(12,13)14;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-11(2,3)13(4)9-10-6-5-7-12-8-10;1-10(2,3)12-8-9-4-6-11-7-5-9;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)12-8-9-6-4-5-7-11-9;1-7(2)11-5-8-3-4-9(10)12-6-8;1-8(2)10-6-4-9(3)5-7-10/h3-5,7-8,15H,6,9-14H2,1-2H3;3-5,7,13H,6,8-12H2,1-2H3;13H,3-12H2,1-2H3;5,7,9-10H,4,6,8H2,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;4-5,7,10H,6,8-9H2,1-3H3;4-6,16H,7H2,1-3H3;11H,5-10H2,1-4H3;5-8H,9H2,1-4H3;3*4-7,12H,8H2,1-3H3;3-4,6-7,11H,5H2,1-2H3;8H,4-7H2,1-3H3
• InChIKey: FKYOSFLKPCYWLG-UHFFFAOYSA-N
• XLogP: 30.41
• TPSA: 231.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2666.55
LogP ≤ 5	30.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?

The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine (CID 158063647) is N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine.

What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?

The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine is CC(C)(C)CCCc1ccccn1.CC(C)(C)CCCc1cccnc1.CC(C)(C)CCCc1ccncc1.CC(C)(C)NCc1ccc(C(F)(F)F)nc1.CC(C)(C)NCc1ccccn1.CC(C)(C)NCc1cccnc1.CC(C)(C)NCc1ccncc1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCCc2ccccc2)CC1.CC(C)N1CCN(CCN(C)C)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCN(CCc2ccccn2)CC1.CC(C)NCc1ccc(Cl)nc1.CN(Cc1cccnc1)C(C)(C)C.

What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?

The InChIKey is FKYOSFLKPCYWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C14H23N3.C13H27N3.3C12H19N.C11H15F3N2.C11H25N3.C11H18N2.3C10H16N2.C9H13ClN2.C8H18N2/c1-15(2)18-13-11-17(12-14-18)10-6-9-16-7-4-3-5-8-16;1-13(2)17-11-9-16(10-12-17)8-6-14-5-3-4-7-15-14;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-12(2,3)8-4-6-11-7-5-9-13-10-11;1-12(2,3)8-4-5-11-6-9-13-10-7-11;1-12(2,3)9-6-8-11-7-4-5-10-13-11;1-10(2,3)16-7-8-4-5-9(15-6-8)11(12,13)14;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-11(2,3)13(4)9-10-6-5-7-12-8-10;1-10(2,3)12-8-9-4-6-11-7-5-9;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)12-8-9-6-4-5-7-11-9;1-7(2)11-5-8-3-4-9(10)12-6-8;1-8(2)10-6-4-9(3)5-7-10/h3-5,7-8,15H,6,9-14H2,1-2H3;3-5,7,13H,6,8-12H2,1-2H3;13H,3-12H2,1-2H3;5,7,9-10H,4,6,8H2,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;4-5,7,10H,6,8-9H2,1-3H3;4-6,16H,7H2,1-3H3;11H,5-10H2,1-4H3;5-8H,9H2,1-4H3;3*4-7,12H,8H2,1-3H3;3-4,6-7,11H,5H2,1-2H3;8H,4-7H2,1-3H3.

What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine?

N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 2666.55 g/mol, XLogP of 30.41, 40 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-3-pyridinyl)methyl]propan-2-amine;2-(4,4-dimethylpentyl)pyridine;3-(4,4-dimethylpentyl)pyridine;4-(4,4-dimethylpentyl)pyridine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N,2-dimethyl-N-(pyridin-3-ylmethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-2-amine;1-(3-phenylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-pyridin-2-ylethyl)piperazine;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 158063647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).