N-(4-methylsulfanylbutyl)pyridin-2-amine

C10H16N2S — CID 115637469

IUPACN-(4-methylsulfanylbutyl)pyridin-2-amine
SMILESCSCCCCNc1ccccn1
InChIInChI=1S/C10H16N2S/c1-13-9-5-4-8-12-10-6-2-3-7-11-10/h2-3,6-7H,4-5,8-9H2,1H3,(H,11,12)
InChIKeyLSACXRIYQCOYSH-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.64
Rot. Bonds6

About N-(4-methylsulfanylbutyl)pyridin-2-amine

N-(4-methylsulfanylbutyl)pyridin-2-amine (PubChem CID 115637469) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)pyridin-2-amine
PubChem CID115637469
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-(4-methylsulfanylbutyl)pyridin-2-amine
SMILESCSCCCCNc1ccccn1
InChIInChI=1S/C10H16N2S/c1-13-9-5-4-8-12-10-6-2-3-7-11-10/h2-3,6-7H,4-5,8-9H2,1H3,(H,11,12)
InChIKeyLSACXRIYQCOYSH-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.64
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

N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-butylpyridin-2-amine
CID 14322668
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
2-chloro-N-(4-methylsulfanylbutyl)pyrimidin-4-amine
CID 115695390
methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate;hydroiodide
CID 15616781
N-pent-4-ynylpyridin-2-amine
CID 103704473
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)pyridin-2-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)pyridin-2-amine (CID 115637469) is N-(4-methylsulfanylbutyl)pyridin-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)pyridin-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)pyridin-2-amine is CSCCCCNc1ccccn1.
What is the InChIKey of N-(4-methylsulfanylbutyl)pyridin-2-amine?
The InChIKey is LSACXRIYQCOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-13-9-5-4-8-12-10-6-2-3-7-11-10/h2-3,6-7H,4-5,8-9H2,1H3,(H,11,12).
What are the key properties of N-(4-methylsulfanylbutyl)pyridin-2-amine?
N-(4-methylsulfanylbutyl)pyridin-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)pyridin-2-amine is sourced from PubChem (CID 115637469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).