[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine

C18H24N2S — CID 81037160

IUPAC[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Sc2ccc(C(C)(C)C)cc2)c(CN)c(C)n1
InChIInChI=1S/C18H24N2S/c1-12-10-17(16(11-19)13(2)20-12)21-15-8-6-14(7-9-15)18(3,4)5/h6-10H,11,19H2,1-5H3
InChIKeyKXEJQAHJIXJSIU-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.61
Rot. Bonds3

About [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine

[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 81037160) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
PubChem CID81037160
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Sc2ccc(C(C)(C)C)cc2)c(CN)c(C)n1
InChIInChI=1S/C18H24N2S/c1-12-10-17(16(11-19)13(2)20-12)21-15-8-6-14(7-9-15)18(3,4)5/h6-10H,11,19H2,1-5H3
InChIKeyKXEJQAHJIXJSIU-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine (CID 81037160) is [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine is Cc1cc(Sc2ccc(C(C)(C)C)cc2)c(CN)c(C)n1.
What is the InChIKey of [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is KXEJQAHJIXJSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-12-10-17(16(11-19)13(2)20-12)21-15-8-6-14(7-9-15)18(3,4)5/h6-10H,11,19H2,1-5H3.
What are the key properties of [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 300.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81037160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).