N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine

C12H21N3S — CID 105074392

IUPACN-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
SMILESCNCc1ccncc1N(C)C(C)CSC
InChIInChI=1S/C12H21N3S/c1-10(9-16-4)15(3)12-8-14-6-5-11(12)7-13-2/h5-6,8,10,13H,7,9H2,1-4H3
InChIKeyLHDOWORRPUETLW-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.99
Rot. Bonds6

About N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine

N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine (PubChem CID 105074392) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
PubChem CID105074392
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
SMILESCNCc1ccncc1N(C)C(C)CSC
InChIInChI=1S/C12H21N3S/c1-10(9-16-4)15(3)12-8-14-6-5-11(12)7-13-2/h5-6,8,10,13H,7,9H2,1-4H3
InChIKeyLHDOWORRPUETLW-UHFFFAOYSA-N
XLogP1.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(methylaminomethyl)-N-propan-2-ylpyridin-3-amine
CID 105072723
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
CID 105074176
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 112660195
N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073292
N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 105073101
[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
CID 105066726
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
N-ethyl-4-(methylaminomethyl)-N-(2-methylphenyl)pyridin-3-amine
CID 105072688
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073981

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine (CID 105074392) is N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine is CNCc1ccncc1N(C)C(C)CSC.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
The InChIKey is LHDOWORRPUETLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(9-16-4)15(3)12-8-14-6-5-11(12)7-13-2/h5-6,8,10,13H,7,9H2,1-4H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine?
N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine has a molecular weight of 239.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 105074392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).