N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine

C13H20N2S — CID 107266129

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
SMILESCSC1(CNC(C)c2ccncc2)CCC1
InChIInChI=1S/C13H20N2S/c1-11(12-4-8-14-9-5-12)15-10-13(16-2)6-3-7-13/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3
InChIKeyRVZQUNZSIJAPSI-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.02
Rot. Bonds5

About N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine

N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 107266129) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID107266129
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
SMILESCSC1(CNC(C)c2ccncc2)CCC1
InChIInChI=1S/C13H20N2S/c1-11(12-4-8-14-9-5-12)15-10-13(16-2)6-3-7-13/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3
InChIKeyRVZQUNZSIJAPSI-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Pyridinecarbothioamide
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N-Methylpyridine-4-methylamine
CID 81436
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
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4-Pyridineethanamine
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3-(Methylaminomethyl)pyridine
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Pyridine, 3-((methylthio)methyl)-
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Pyridine, 4-(2-dimethylaminoethyl)-
CID 98899

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine (CID 107266129) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine is CSC1(CNC(C)c2ccncc2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is RVZQUNZSIJAPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-11(12-4-8-14-9-5-12)15-10-13(16-2)6-3-7-13/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 236.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 107266129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).