[3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine

C11H18N2S — CID 107752042

IUPAC[3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine
SMILESCC(C)C(C)Sc1cccnc1CN
InChIInChI=1S/C11H18N2S/c1-8(2)9(3)14-11-5-4-6-13-10(11)7-12/h4-6,8-9H,7,12H2,1-3H3
InChIKeyYLADOGMDHIAFCM-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.68
Rot. Bonds4

About [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine

[3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine (PubChem CID 107752042) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine
PubChem CID107752042
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine
SMILESCC(C)C(C)Sc1cccnc1CN
InChIInChI=1S/C11H18N2S/c1-8(2)9(3)14-11-5-4-6-13-10(11)7-12/h4-6,8-9H,7,12H2,1-3H3
InChIKeyYLADOGMDHIAFCM-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine (CID 107752042) is [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine is CC(C)C(C)Sc1cccnc1CN.
What is the InChIKey of [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine?
The InChIKey is YLADOGMDHIAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)9(3)14-11-5-4-6-13-10(11)7-12/h4-6,8-9H,7,12H2,1-3H3.
What are the key properties of [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine?
[3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutan-2-ylsulfanyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 107752042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).