4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine

C13H21N3S — CID 80627136

IUPAC4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1c(C)ccnc1N)C1CCCCS1
InChIInChI=1S/C13H21N3S/c1-9-6-7-16-13(14)11(9)12(15-2)10-5-3-4-8-17-10/h6-7,10,12,15H,3-5,8H2,1-2H3,(H2,14,16)
InChIKeyJIVVNGJXVVKOKI-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.52
Rot. Bonds3

About 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine

4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine (PubChem CID 80627136) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine
PubChem CID80627136
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1c(C)ccnc1N)C1CCCCS1
InChIInChI=1S/C13H21N3S/c1-9-6-7-16-13(14)11(9)12(15-2)10-5-3-4-8-17-10/h6-7,10,12,15H,3-5,8H2,1-2H3,(H2,14,16)
InChIKeyJIVVNGJXVVKOKI-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-2-pyridinamine
CID 105097
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
4-Methyl-6-(2-(5-(3-(Methylamino)propyl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119081688
1-(3-Methylpyridin-2-yl)-3-(2-phenylethyl)thiourea
CID 2240742
5-(1-Methylpyrrolidin-2-yl)pyridin-2-amine
CID 3110789
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446
2-Pyridinamine, 4-phenyl-
CID 109014
N-(4-Phenyl-pyridin-2-yl)-guanidine
CID 10219978
(2R)-1-oxo-N-propyl-2-pyridin-3-ylthiane-2-carbothioamide
CID 45266380
(2R)-N-ethyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
CID 45266381
N-cyclopropyl-5-[(5-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 137634483

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine (CID 80627136) is 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine is CNC(c1c(C)ccnc1N)C1CCCCS1.
What is the InChIKey of 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine?
The InChIKey is JIVVNGJXVVKOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-6-7-16-13(14)11(9)12(15-2)10-5-3-4-8-17-10/h6-7,10,12,15H,3-5,8H2,1-2H3,(H2,14,16).
What are the key properties of 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine?
4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80627136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).