N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine

C11H18N2S — CID 107765703

IUPACN-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine
SMILESCCC(C)CSc1ccnc(NC)c1
InChIInChI=1S/C11H18N2S/c1-4-9(2)8-14-10-5-6-13-11(7-10)12-3/h5-7,9H,4,8H2,1-3H3,(H,12,13)
InChIKeyCSTLAYYWNIRSMC-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.26
Rot. Bonds5

About N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine

N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine (PubChem CID 107765703) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine
PubChem CID107765703
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine
SMILESCCC(C)CSc1ccnc(NC)c1
InChIInChI=1S/C11H18N2S/c1-4-9(2)8-14-10-5-6-13-11(7-10)12-3/h5-7,9H,4,8H2,1-3H3,(H,12,13)
InChIKeyCSTLAYYWNIRSMC-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine?
The IUPAC name of N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine (CID 107765703) is N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine is CCC(C)CSc1ccnc(NC)c1.
What is the InChIKey of N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine?
The InChIKey is CSTLAYYWNIRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-9(2)8-14-10-5-6-13-11(7-10)12-3/h5-7,9H,4,8H2,1-3H3,(H,12,13).
What are the key properties of N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine?
N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 107765703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).