3-(butylsulfanylmethyl)pyridin-2-amine

C10H16N2S — CID 62469458

IUPAC3-(butylsulfanylmethyl)pyridin-2-amine
SMILESCCCCSCc1cccnc1N
InChIInChI=1S/C10H16N2S/c1-2-3-7-13-8-9-5-4-6-12-10(9)11/h4-6H,2-3,7-8H2,1H3,(H2,11,12)
InChIKeyKBGKCUMJSSSNAF-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.70
Rot. Bonds5

About 3-(butylsulfanylmethyl)pyridin-2-amine

3-(butylsulfanylmethyl)pyridin-2-amine (PubChem CID 62469458) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(butylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(butylsulfanylmethyl)pyridin-2-amine
PubChem CID62469458
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-(butylsulfanylmethyl)pyridin-2-amine
SMILESCCCCSCc1cccnc1N
InChIInChI=1S/C10H16N2S/c1-2-3-7-13-8-9-5-4-6-12-10(9)11/h4-6H,2-3,7-8H2,1H3,(H2,11,12)
InChIKeyKBGKCUMJSSSNAF-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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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Related Compounds

methyl 3-[(2-amino-3-pyridinyl)methylsulfanyl]propanoate
CID 62466963
ethane;3-propylpyridin-2-amine
CID 176926436
S-[(2-amino-3-pyridinyl)methyl] ethanethioate
CID 71341899
1-(butylsulfanylmethyl)-2-ethoxybenzene
CID 112781326
2-(butylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide
CID 43615814
3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62468560
3-[(4-tert-butylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62467849
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-(cyclopentylsulfanylmethyl)pyridin-2-amine
CID 63115867
2-[(2-amino-3-pyridinyl)methylsulfanyl]-1-piperidin-1-ylethanone
CID 114236147
1-(dodecylsulfanylmethyl)-2-ethenylbenzene
CID 70484511
3-(methylsulfonylmethyl)pyridin-2-amine
CID 117212620

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 3-(butylsulfanylmethyl)pyridin-2-amine (CID 62469458) is 3-(butylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(butylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(butylsulfanylmethyl)pyridin-2-amine is CCCCSCc1cccnc1N.
What is the InChIKey of 3-(butylsulfanylmethyl)pyridin-2-amine?
The InChIKey is KBGKCUMJSSSNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-3-7-13-8-9-5-4-6-12-10(9)11/h4-6H,2-3,7-8H2,1H3,(H2,11,12).
What are the key properties of 3-(butylsulfanylmethyl)pyridin-2-amine?
3-(butylsulfanylmethyl)pyridin-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62469458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).