2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine

C11H17ClN2S — CID 103088102

IUPAC2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
SMILESCSCCCCNc1c(C)ccnc1Cl
InChIInChI=1S/C11H17ClN2S/c1-9-5-7-14-11(12)10(9)13-6-3-4-8-15-2/h5,7,13H,3-4,6,8H2,1-2H3
InChIKeyVGCRGMIEAKOTMB-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.60
Rot. Bonds6

About 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine

2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine (PubChem CID 103088102) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
PubChem CID103088102
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
SMILESCSCCCCNc1c(C)ccnc1Cl
InChIInChI=1S/C11H17ClN2S/c1-9-5-7-14-11(12)10(9)13-6-3-4-8-15-2/h5,7,13H,3-4,6,8H2,1-2H3
InChIKeyVGCRGMIEAKOTMB-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-4-methylpyridin-3-amine
CID 65483347
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111
2-chloro-N-(4-methylsulfanylbutyl)pyrimidin-4-amine
CID 115695390
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine
CID 65484519
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 131159951
2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
CID 65483551
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639168
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine (CID 103088102) is 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine is CSCCCCNc1c(C)ccnc1Cl.
What is the InChIKey of 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine?
The InChIKey is VGCRGMIEAKOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-9-5-7-14-11(12)10(9)13-6-3-4-8-15-2/h5,7,13H,3-4,6,8H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine?
2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine has a molecular weight of 244.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine is sourced from PubChem (CID 103088102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).