(4-butylsulfanyl-2-pyridinyl)methanamine

C10H16N2S — CID 62925022

IUPAC(4-butylsulfanyl-2-pyridinyl)methanamine
SMILESCCCCSc1ccnc(CN)c1
InChIInChI=1S/C10H16N2S/c1-2-3-6-13-10-4-5-12-9(7-10)8-11/h4-5,7H,2-3,6,8,11H2,1H3
InChIKeyXSEGFIDDKNLFLJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.43
Rot. Bonds5

About (4-butylsulfanyl-2-pyridinyl)methanamine

(4-butylsulfanyl-2-pyridinyl)methanamine (PubChem CID 62925022) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (4-butylsulfanyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-butylsulfanyl-2-pyridinyl)methanamine
PubChem CID62925022
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(4-butylsulfanyl-2-pyridinyl)methanamine
SMILESCCCCSc1ccnc(CN)c1
InChIInChI=1S/C10H16N2S/c1-2-3-6-13-10-4-5-12-9(7-10)8-11/h4-5,7H,2-3,6,8,11H2,1H3
InChIKeyXSEGFIDDKNLFLJ-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-butylsulfanyl-2-pyridinyl)methanamine?
The IUPAC name of (4-butylsulfanyl-2-pyridinyl)methanamine (CID 62925022) is (4-butylsulfanyl-2-pyridinyl)methanamine.
What is the SMILES notation for (4-butylsulfanyl-2-pyridinyl)methanamine?
The canonical SMILES for (4-butylsulfanyl-2-pyridinyl)methanamine is CCCCSc1ccnc(CN)c1.
What is the InChIKey of (4-butylsulfanyl-2-pyridinyl)methanamine?
The InChIKey is XSEGFIDDKNLFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-3-6-13-10-4-5-12-9(7-10)8-11/h4-5,7H,2-3,6,8,11H2,1H3.
What are the key properties of (4-butylsulfanyl-2-pyridinyl)methanamine?
(4-butylsulfanyl-2-pyridinyl)methanamine has a molecular weight of 196.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylsulfanyl-2-pyridinyl)methanamine is sourced from PubChem (CID 62925022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).