6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine

C12H20N2OS — CID 61484590

IUPAC6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine
SMILESCC(C)CCOCCSc1ccc(N)cn1
InChIInChI=1S/C12H20N2OS/c1-10(2)5-6-15-7-8-16-12-4-3-11(13)9-14-12/h3-4,9-10H,5-8,13H2,1-2H3
InChIKeyDYCPMZCCJGZYIV-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.82
Rot. Bonds7

About 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine

6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine (PubChem CID 61484590) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine
PubChem CID61484590
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine
SMILESCC(C)CCOCCSc1ccc(N)cn1
InChIInChI=1S/C12H20N2OS/c1-10(2)5-6-15-7-8-16-12-4-3-11(13)9-14-12/h3-4,9-10H,5-8,13H2,1-2H3
InChIKeyDYCPMZCCJGZYIV-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminopropylsulfanyl)pyridin-3-amine
CID 102689492
3-fluoro-4-[2-(3-methylbutoxy)ethylsulfanyl]aniline
CID 54956362
3-chloro-4-[2-(3-methylbutoxy)ethylsulfanyl]aniline
CID 54956414
6-(3-methylbutyl)pyridin-3-amine
CID 82414791
6-(2-fluoroethylsulfanyl)pyridin-3-amine
CID 80694256
5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile
CID 43300899
6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
CID 43301295
6-octylsulfanylpyridin-3-amine
CID 43301414
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
6-[2-(diethylamino)ethylsulfanyl]pyridin-3-amine
CID 43301503
1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol
CID 63931140
2-chloro-4-[2-(3-methylbutoxy)ethylsulfanyl]aniline
CID 79149354

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine (CID 61484590) is 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine is CC(C)CCOCCSc1ccc(N)cn1.
What is the InChIKey of 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine?
The InChIKey is DYCPMZCCJGZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(2)5-6-15-7-8-16-12-4-3-11(13)9-14-12/h3-4,9-10H,5-8,13H2,1-2H3.
What are the key properties of 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine?
6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine has a molecular weight of 240.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 61484590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).