2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine

C10H16N2S — CID 66230417

IUPAC2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCc1cccnc1
InChIInChI=1S/C10H16N2S/c1-10(2,11)8-13-7-9-4-3-5-12-6-9/h3-6H,7-8,11H2,1-2H3
InChIKeyDMIPULWSYZZHFR-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.05
Rot. Bonds4

About 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine

2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine (PubChem CID 66230417) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
PubChem CID66230417
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCc1cccnc1
InChIInChI=1S/C10H16N2S/c1-10(2,11)8-13-7-9-4-3-5-12-6-9/h3-6H,7-8,11H2,1-2H3
InChIKeyDMIPULWSYZZHFR-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-(ethylsulfanylmethyl)pyridine
CID 3025109
3-(benzylsulfanylmethyl)pyridine
CID 3025143
3-(but-2-ynylsulfanylmethyl)pyridine
CID 130709571
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-methyl-2-(pyridin-3-ylmethylsulfanyl)butanamide
CID 139930594
1-[(4-imidazol-1-ylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66230899
4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 174709690
3-[[2-[4,5-bis(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine
CID 101228131
3-ethylpyridine
CID 10823
3-(pyridin-3-ylmethyl)pyridine
CID 14762640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine (CID 66230417) is 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine is CC(C)(N)CSCc1cccnc1.
What is the InChIKey of 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine?
The InChIKey is DMIPULWSYZZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2,11)8-13-7-9-4-3-5-12-6-9/h3-6H,7-8,11H2,1-2H3.
What are the key properties of 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine?
2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66230417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).