2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine

C17H31N3S2 — CID 20679715

IUPAC2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1cccc(CNCC(C)(C)SC)n1
InChIInChI=1S/C17H31N3S2/c1-16(2,21-5)12-18-10-14-8-7-9-15(20-14)11-19-13-17(3,4)22-6/h7-9,18-19H,10-13H2,1-6H3
InChIKeyFGRXIXGNQITJBY-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.54
Rot. Bonds10

About 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine

2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 20679715) has the molecular formula C17H31N3S2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine
PubChem CID20679715
Molecular FormulaC17H31N3S2
Molecular Weight341.59 g/mol
Exact Mass341.20
IUPAC Name2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1cccc(CNCC(C)(C)SC)n1
InChIInChI=1S/C17H31N3S2/c1-16(2,21-5)12-18-10-14-8-7-9-15(20-14)11-19-13-17(3,4)22-6/h7-9,18-19H,10-13H2,1-6H3
InChIKeyFGRXIXGNQITJBY-UHFFFAOYSA-N
XLogP3.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904961
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664412
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
6-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyridin-2-amine
CID 115663512
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 104756449
2-methyl-2-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115664534
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
CID 79623760
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
2-methyl-2-methylsulfanyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 103711426

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine (CID 20679715) is 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCc1cccc(CNCC(C)(C)SC)n1.
What is the InChIKey of 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is FGRXIXGNQITJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S2/c1-16(2,21-5)12-18-10-14-8-7-9-15(20-14)11-19-13-17(3,4)22-6/h7-9,18-19H,10-13H2,1-6H3.
What are the key properties of 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine?
2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 341.59 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 20679715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).