N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine

C14H24N2S — CID 65141692

IUPACN-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
SMILESCCCNC(CSC(C)CC)c1cccnc1
InChIInChI=1S/C14H24N2S/c1-4-8-16-14(11-17-12(3)5-2)13-7-6-9-15-10-13/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3
InChIKeyZCMJOJAGXYGIGQ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.65
Rot. Bonds8

About N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine

N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine (PubChem CID 65141692) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
PubChem CID65141692
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
SMILESCCCNC(CSC(C)CC)c1cccnc1
InChIInChI=1S/C14H24N2S/c1-4-8-16-14(11-17-12(3)5-2)13-7-6-9-15-10-13/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3
InChIKeyZCMJOJAGXYGIGQ-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylsulfanyl-1-quinolin-6-ylethyl)propan-1-amine
CID 81228662
N-(2-butan-2-ylsulfanyl-1-isoquinolin-8-ylethyl)propan-1-amine
CID 103143600
N-[2-butan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64612803
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
N-(2-butan-2-ylsulfanyl-1-isoquinolin-4-ylethyl)propan-1-amine
CID 65140966
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine?
The IUPAC name of N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine (CID 65141692) is N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine is CCCNC(CSC(C)CC)c1cccnc1.
What is the InChIKey of N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine?
The InChIKey is ZCMJOJAGXYGIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-8-16-14(11-17-12(3)5-2)13-7-6-9-15-10-13/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3.
What are the key properties of N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine?
N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 65141692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).