2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine

C15H24N2S — CID 102926543

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1cc(C)cc(C)n1
InChIInChI=1S/C15H24N2S/c1-4-16-13-7-5-6-8-14(13)18-15-10-11(2)9-12(3)17-15/h9-10,13-14,16H,4-8H2,1-3H3
InChIKeySGFHCEFNOIKUSG-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.71
Rot. Bonds4

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine (PubChem CID 102926543) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
PubChem CID102926543
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1cc(C)cc(C)n1
InChIInChI=1S/C15H24N2S/c1-4-16-13-7-5-6-8-14(13)18-15-10-11(2)9-12(3)17-15/h9-10,13-14,16H,4-8H2,1-3H3
InChIKeySGFHCEFNOIKUSG-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine (CID 102926543) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1Sc1cc(C)cc(C)n1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The InChIKey is SGFHCEFNOIKUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-16-13-7-5-6-8-14(13)18-15-10-11(2)9-12(3)17-15/h9-10,13-14,16H,4-8H2,1-3H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 102926543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).