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

C15H26N2S — CID 102925906

IUPACN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1cc(C)cc(C)n1
InChIInChI=1S/C15H26N2S/c1-5-6-7-8-16-11-14(4)18-15-10-12(2)9-13(3)17-15/h9-10,14,16H,5-8,11H2,1-4H3
InChIKeyMXLSAUFYCXJBFE-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.96
Rot. Bonds8

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

N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine (PubChem CID 102925906) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
PubChem CID102925906
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1cc(C)cc(C)n1
InChIInChI=1S/C15H26N2S/c1-5-6-7-8-16-11-14(4)18-15-10-12(2)9-13(3)17-15/h9-10,14,16H,5-8,11H2,1-4H3
InChIKeyMXLSAUFYCXJBFE-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.96
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]pentan-1-amine?
The IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine (CID 102925906) is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine.
What is the SMILES notation for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine?
The canonical SMILES for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine is CCCCCNCC(C)Sc1cc(C)cc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine?
The InChIKey is MXLSAUFYCXJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-6-7-8-16-11-14(4)18-15-10-12(2)9-13(3)17-15/h9-10,14,16H,5-8,11H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine?
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.96, 8 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]pentan-1-amine is sourced from PubChem (CID 102925906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).