5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine

C11H14N2S — CID 103703360

IUPAC5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
SMILESC#CCSCCNc1ccc(C)cn1
InChIInChI=1S/C11H14N2S/c1-3-7-14-8-6-12-11-5-4-10(2)9-13-11/h1,4-5,9H,6-8H2,2H3,(H,12,13)
InChIKeyLZFBQNAMDCOWNF-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.17
Rot. Bonds5

About 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine

5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine (PubChem CID 103703360) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
PubChem CID103703360
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
SMILESC#CCSCCNc1ccc(C)cn1
InChIInChI=1S/C11H14N2S/c1-3-7-14-8-6-12-11-5-4-10(2)9-13-11/h1,4-5,9H,6-8H2,2H3,(H,12,13)
InChIKeyLZFBQNAMDCOWNF-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine
CID 106430681
5-methyl-N-pent-3-ynylpyridin-2-amine
CID 116644488
6-methylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)pyrimidin-4-amine
CID 106430433
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
2-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,5-diamine
CID 106426074
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272
N-[(6-methyl-3-pyridinyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 104755850
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine (CID 103703360) is 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine is C#CCSCCNc1ccc(C)cn1.
What is the InChIKey of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
The InChIKey is LZFBQNAMDCOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-7-14-8-6-12-11-5-4-10(2)9-13-11/h1,4-5,9H,6-8H2,2H3,(H,12,13).
What are the key properties of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 103703360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).