5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine

C14H24N2S — CID 102925316

IUPAC5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
SMILESCc1cc(C)nc(SCCCC(C)(C)CN)c1
InChIInChI=1S/C14H24N2S/c1-11-8-12(2)16-13(9-11)17-7-5-6-14(3,4)10-15/h8-9H,5-7,10,15H2,1-4H3
InChIKeyCRZVLSGMXBXCCK-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.56
Rot. Bonds6

About 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine

5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine (PubChem CID 102925316) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
PubChem CID102925316
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
SMILESCc1cc(C)nc(SCCCC(C)(C)CN)c1
InChIInChI=1S/C14H24N2S/c1-11-8-12(2)16-13(9-11)17-7-5-6-14(3,4)10-15/h8-9H,5-7,10,15H2,1-4H3
InChIKeyCRZVLSGMXBXCCK-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine (CID 102925316) is 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine is Cc1cc(C)nc(SCCCC(C)(C)CN)c1.
What is the InChIKey of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine?
The InChIKey is CRZVLSGMXBXCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-8-12(2)16-13(9-11)17-7-5-6-14(3,4)10-15/h8-9H,5-7,10,15H2,1-4H3.
What are the key properties of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine?
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 102925316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).