N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)

C135H231N33O20S10 — CID 159818772

IUPACN,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)
SMILESCC(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)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O
InChIInChI=1S/4C12H20N2O2S.C12H20N2.4C11H19N3O2S.C11H19N3.2C10H18N4O2S/c4*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;2*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)12-8-10-6-5-7-11(13-10)14(3)4;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/h4*5-8,10,13H,9H2,1-4H3;5-8,10,13H,9H2,1-4H3;4*5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-6,8,11H,7H2,1-4H3
InChIKeyNLYQMBJSCKDOGK-UHFFFAOYSA-N
MW2957.21 g/mol
LogP14.86
Rot. Bonds58

About N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)

N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide) (PubChem CID 159818772) has the molecular formula C135H231N33O20S10 and a molecular weight of 2957.21 g/mol. Its IUPAC name is N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide).

Molecular Properties

Compound NameN,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)
PubChem CID159818772
Molecular FormulaC135H231N33O20S10
Molecular Weight2957.21 g/mol
Exact Mass2954.53
IUPAC NameN,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)
SMILESCC(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)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O
InChIInChI=1S/4C12H20N2O2S.C12H20N2.4C11H19N3O2S.C11H19N3.2C10H18N4O2S/c4*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;2*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)12-8-10-6-5-7-11(13-10)14(3)4;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/h4*5-8,10,13H,9H2,1-4H3;5-8,10,13H,9H2,1-4H3;4*5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-6,8,11H,7H2,1-4H3
InChIKeyNLYQMBJSCKDOGK-UHFFFAOYSA-N
XLogP14.86
TPSA640.65 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds58
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002957.21
LogP ≤ 514.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)?
The IUPAC name of N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide) (CID 159818772) is N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide).
What is the SMILES notation for N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)?
The canonical SMILES for N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]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)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)?
The InChIKey is NLYQMBJSCKDOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H20N2O2S.C12H20N2.4C11H19N3O2S.C11H19N3.2C10H18N4O2S/c4*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;2*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)12-8-10-6-5-7-11(13-10)14(3)4;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/h4*5-8,10,13H,9H2,1-4H3;5-8,10,13H,9H2,1-4H3;4*5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;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-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide)?
N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide) has a molecular weight of 2957.21 g/mol, XLogP of 14.86, 58 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(propan-2-ylamino)methyl]aniline;N,N-dimethyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine;tetrakis(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;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide) is sourced from PubChem (CID 159818772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).