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

C14H24N2S — CID 102925919

IUPACN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine
SMILESCCCCNCC(C)Sc1cc(C)cc(C)n1
InChIInChI=1S/C14H24N2S/c1-5-6-7-15-10-13(4)17-14-9-11(2)8-12(3)16-14/h8-9,13,15H,5-7,10H2,1-4H3
InChIKeyXNICJKJPEQEZIB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.57
Rot. Bonds7

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

N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine (PubChem CID 102925919) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine
PubChem CID102925919
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine
SMILESCCCCNCC(C)Sc1cc(C)cc(C)n1
InChIInChI=1S/C14H24N2S/c1-5-6-7-15-10-13(4)17-14-9-11(2)8-12(3)16-14/h8-9,13,15H,5-7,10H2,1-4H3
InChIKeyXNICJKJPEQEZIB-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.57
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 N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine?
The IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine (CID 102925919) is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine.
What is the SMILES notation for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine?
The canonical SMILES for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine is CCCCNCC(C)Sc1cc(C)cc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine?
The InChIKey is XNICJKJPEQEZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-6-7-15-10-13(4)17-14-9-11(2)8-12(3)16-14/h8-9,13,15H,5-7,10H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine?
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine is sourced from PubChem (CID 102925919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).