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

C15H26N2OS — CID 102925949

IUPACN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCSc1cc(C)cc(C)n1
InChIInChI=1S/C15H26N2OS/c1-4-18-9-6-5-7-16-8-10-19-15-12-13(2)11-14(3)17-15/h11-12,16H,4-10H2,1-3H3
InChIKeyUOZOMBYKBLYWNN-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.20
Rot. Bonds10

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

N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine (PubChem CID 102925949) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine
PubChem CID102925949
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCSc1cc(C)cc(C)n1
InChIInChI=1S/C15H26N2OS/c1-4-18-9-6-5-7-16-8-10-19-15-12-13(2)11-14(3)17-15/h11-12,16H,4-10H2,1-3H3
InChIKeyUOZOMBYKBLYWNN-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine?
The IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine (CID 102925949) is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine.
What is the SMILES notation for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine?
The canonical SMILES for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine is CCOCCCCNCCSc1cc(C)cc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine?
The InChIKey is UOZOMBYKBLYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-18-9-6-5-7-16-8-10-19-15-12-13(2)11-14(3)17-15/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine?
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine is sourced from PubChem (CID 102925949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).