[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine

C11H18N2S — CID 107752122

IUPAC[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine
SMILESCC(C)CCSc1ncccc1CN
InChIInChI=1S/C11H18N2S/c1-9(2)5-7-14-11-10(8-12)4-3-6-13-11/h3-4,6,9H,5,7-8,12H2,1-2H3
InChIKeyZRASKFAEINBEER-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.68
Rot. Bonds5

About [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine

[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine (PubChem CID 107752122) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine
PubChem CID107752122
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine
SMILESCC(C)CCSc1ncccc1CN
InChIInChI=1S/C11H18N2S/c1-9(2)5-7-14-11-10(8-12)4-3-6-13-11/h3-4,6,9H,5,7-8,12H2,1-2H3
InChIKeyZRASKFAEINBEER-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 107752020
[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 28994806
3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
CID 107754063
[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528979
[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine
CID 63119826
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528942
2-(2-methylsulfanyl-3-pyridinyl)ethanamine
CID 84765480
3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79484086
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine
CID 126448583
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631084
2-amino-4-[(3-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821539

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine (CID 107752122) is [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine is CC(C)CCSc1ncccc1CN.
What is the InChIKey of [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine?
The InChIKey is ZRASKFAEINBEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(2)5-7-14-11-10(8-12)4-3-6-13-11/h3-4,6,9H,5,7-8,12H2,1-2H3.
What are the key properties of [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine?
[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 107752122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).