N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide

C155H267N41O20S10 — CID 157106267

About N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide

N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide (PubChem CID 157106267) has the molecular formula C155H267N41O20S10 and a molecular weight of 3345.78 g/mol. Its IUPAC name is N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide
• PubChem CID: 157106267
• Molecular Formula: C155H267N41O20S10
• Molecular Weight: 3345.78 g/mol
• Exact Mass: 3342.83
• IUPAC Name: N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide
• SMILES: CC(C)NCc1cccc(N(C)C)c1.CC(C)NCc1cccc(N(C)C)n1.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnc(N(C)C)c1.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1cncc(N(C)C)c1.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O.CC(C)NCc1ncncc1N(C)S(C)(=O)=O
• InChI: InChI=1S/3C12H20N2O2S.C12H20N2.4C11H19N3O2S.3C11H19N3.3C10H18N4O2S/c3*1-10(2)13-9-11-7-5-6-8-12(11)14(3)17(4,15)16;1-10(2)13-9-11-6-5-7-12(8-11)14(3)4;1-9(2)13-8-10-7-12-6-5-11(10)14(3)17(4,15)16;1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;2*1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-9(2)13-7-10-5-11(14(3)4)8-12-6-10;1-9(2)13-8-10-5-6-12-11(7-10)14(3)4;1-9(2)12-8-10-6-5-7-11(13-10)14(3)4;1-8(2)12-5-9-10(6-11-7-13-9)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16;1-8(2)11-7-9-5-6-12-13-10(9)14(3)17(4,15)16/h3*5-8,10,13H,9H2,1-4H3;5-8,10,13H,9H2,1-4H3;4*5-7,9,13H,8H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;6-8,12H,5H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-6,8,11H,7H2,1-4H3
• InChIKey: AGIJORYIJPLQCG-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 722.75 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 51
• Rotatable Bonds: 66
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3345.78
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide?

The IUPAC name of N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide (CID 157106267) is N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide.

What is the SMILES notation for N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide?

The canonical SMILES for N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide is CC(C)NCc1cccc(N(C)C)c1.CC(C)NCc1cccc(N(C)C)n1.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnc(N(C)C)c1.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1cncc(N(C)C)c1.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O.CC(C)NCc1ncncc1N(C)S(C)(=O)=O.

What is the InChIKey of N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide?

The InChIKey is AGIJORYIJPLQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H20N2O2S.C12H20N2.4C11H19N3O2S.3C11H19N3.3C10H18N4O2S/c3*1-10(2)13-9-11-7-5-6-8-12(11)14(3)17(4,15)16;1-10(2)13-9-11-6-5-7-12(8-11)14(3)4;1-9(2)13-8-10-7-12-6-5-11(10)14(3)17(4,15)16;1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;2*1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-9(2)13-7-10-5-11(14(3)4)8-12-6-10;1-9(2)13-8-10-5-6-12-11(7-10)14(3)4;1-9(2)12-8-10-6-5-7-11(13-10)14(3)4;1-8(2)12-5-9-10(6-11-7-13-9)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16;1-8(2)11-7-9-5-6-12-13-10(9)14(3)17(4,15)16/h3*5-8,10,13H,9H2,1-4H3;5-8,10,13H,9H2,1-4H3;4*5-7,9,13H,8H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;6-8,12H,5H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-6,8,11H,7H2,1-4H3.

What are the key properties of N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide?

N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide has a molecular weight of 3345.78 g/mol, XLogP of 16.94, 66 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine;N,N-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-3-amine;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tris(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide is sourced from PubChem (CID 157106267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).