N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine

C14H24N2S — CID 64649505

IUPACN-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
SMILESCCCNC(C)CCCCSc1ccccn1
InChIInChI=1S/C14H24N2S/c1-3-10-15-13(2)8-5-7-12-17-14-9-4-6-11-16-14/h4,6,9,11,13,15H,3,5,7-8,10,12H2,1-2H3
InChIKeyPJECNSQJKHBKSX-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.73
Rot. Bonds9

About N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine

N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine (PubChem CID 64649505) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine.

Molecular Properties

Compound NameN-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
PubChem CID64649505
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
SMILESCCCNC(C)CCCCSc1ccccn1
InChIInChI=1S/C14H24N2S/c1-3-10-15-13(2)8-5-7-12-17-14-9-4-6-11-16-14/h4,6,9,11,13,15H,3,5,7-8,10,12H2,1-2H3
InChIKeyPJECNSQJKHBKSX-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.73
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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Related Compounds

N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
CID 64807026
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
N-(2-methylpropyl)-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578353
2-[5-(propylamino)hexylsulfanyl]-1H-pyrimidin-6-one
CID 64611357
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 65041314
6-phenyl-N-propylhexan-2-amine
CID 61485022
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
CID 102926475
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine?
The IUPAC name of N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine (CID 64649505) is N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine.
What is the SMILES notation for N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine?
The canonical SMILES for N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine is CCCNC(C)CCCCSc1ccccn1.
What is the InChIKey of N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine?
The InChIKey is PJECNSQJKHBKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-10-15-13(2)8-5-7-12-17-14-9-4-6-11-16-14/h4,6,9,11,13,15H,3,5,7-8,10,12H2,1-2H3.
What are the key properties of N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine?
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine is sourced from PubChem (CID 64649505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).