2-(3-methylbutylsulfanylmethyl)pyridin-4-amine

C11H18N2S — CID 107756692

IUPAC2-(3-methylbutylsulfanylmethyl)pyridin-4-amine
SMILESCC(C)CCSCc1cc(N)ccn1
InChIInChI=1S/C11H18N2S/c1-9(2)4-6-14-8-11-7-10(12)3-5-13-11/h3,5,7,9H,4,6,8H2,1-2H3,(H2,12,13)
InChIKeyMXPVZIUDQDRLEM-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine

2-(3-methylbutylsulfanylmethyl)pyridin-4-amine (PubChem CID 107756692) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(3-methylbutylsulfanylmethyl)pyridin-4-amine
PubChem CID107756692
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(3-methylbutylsulfanylmethyl)pyridin-4-amine
SMILESCC(C)CCSCc1cc(N)ccn1
InChIInChI=1S/C11H18N2S/c1-9(2)4-6-14-8-11-7-10(12)3-5-13-11/h3,5,7,9H,4,6,8H2,1-2H3,(H2,12,13)
InChIKeyMXPVZIUDQDRLEM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-4-pyridinamine
CID 74811
4-Amino-2-methylpyridine
CID 728670
5-methyl-1H-1,6-naphthyridine-2-thione
CID 10261617
2-Ethyl-1-pyridin-4-yl-isothiourea; hydrofluoride
CID 10631255
Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-
CID 2058447
6-Methylpyridine-3-carbothioamide
CID 2746076
2,5-Dimethylpyridin-4-amine
CID 4175799
2,3-Dimethylpyridin-4-amine
CID 7330471
RP 40749
CID 3034005
N-decylpyridin-4-amine hydrochloride
CID 12895979
ethyl N'-pyridin-4-ylcarbamimidothioate;hydrofluoride
CID 45260381
(2-Methylpropyl)[2-(pyridin-2-YL)ethyl]amine
CID 238322

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine?
The IUPAC name of 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine (CID 107756692) is 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine?
The canonical SMILES for 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine is CC(C)CCSCc1cc(N)ccn1.
What is the InChIKey of 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine?
The InChIKey is MXPVZIUDQDRLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(2)4-6-14-8-11-7-10(12)3-5-13-11/h3,5,7,9H,4,6,8H2,1-2H3,(H2,12,13).
What are the key properties of 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine?
2-(3-methylbutylsulfanylmethyl)pyridin-4-amine has a molecular weight of 210.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfanylmethyl)pyridin-4-amine is sourced from PubChem (CID 107756692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).