[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine

C11H18N2S — CID 107752068

IUPAC[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine
SMILESCCC(C)CSc1ccc(CN)nc1
InChIInChI=1S/C11H18N2S/c1-3-9(2)8-14-11-5-4-10(6-12)13-7-11/h4-5,7,9H,3,6,8,12H2,1-2H3
InChIKeyANHISOVSSRNMNC-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.68
Rot. Bonds5

About [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine

[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine (PubChem CID 107752068) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine
PubChem CID107752068
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine
SMILESCCC(C)CSc1ccc(CN)nc1
InChIInChI=1S/C11H18N2S/c1-3-9(2)8-14-11-5-4-10(6-12)13-7-11/h4-5,7,9H,3,6,8,12H2,1-2H3
InChIKeyANHISOVSSRNMNC-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

5-(2-methylbutylsulfanyl)pyridine-2-carboxylic acid
CID 107747326
[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
CID 115490313
[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]methanamine
CID 113321432
1-[5-(3-hydroxy-2-methylpropyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112584006
[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine
CID 113321430
6-(aminomethyl)-N-butan-2-yl-N-methylpyridin-3-amine
CID 115486842
4-(2-methylbutylsulfanyl)benzoic acid
CID 62105841
3-[[6-(1-aminopropyl)-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 112585176
5-bromo-2-(2-methylbutylsulfanyl)pyridin-3-amine
CID 107748063
N-methyl-4-(2-methylbutylsulfanyl)pyridin-2-amine
CID 107765703
2-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765019
2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
CID 145231908

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine (CID 107752068) is [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine is CCC(C)CSc1ccc(CN)nc1.
What is the InChIKey of [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine?
The InChIKey is ANHISOVSSRNMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-9(2)8-14-11-5-4-10(6-12)13-7-11/h4-5,7,9H,3,6,8,12H2,1-2H3.
What are the key properties of [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine?
[5-(2-methylbutylsulfanyl)-2-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 [5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 107752068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).