5-(4-methylpentylsulfanyl)pyridin-2-amine

C11H18N2S — CID 83158550

IUPAC5-(4-methylpentylsulfanyl)pyridin-2-amine
SMILESCC(C)CCCSc1ccc(N)nc1
InChIInChI=1S/C11H18N2S/c1-9(2)4-3-7-14-10-5-6-11(12)13-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyGYYPRPLUWCSYQR-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.19
Rot. Bonds5

About 5-(4-methylpentylsulfanyl)pyridin-2-amine

5-(4-methylpentylsulfanyl)pyridin-2-amine (PubChem CID 83158550) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-(4-methylpentylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylpentylsulfanyl)pyridin-2-amine
PubChem CID83158550
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-(4-methylpentylsulfanyl)pyridin-2-amine
SMILESCC(C)CCCSc1ccc(N)nc1
InChIInChI=1S/C11H18N2S/c1-9(2)4-3-7-14-10-5-6-11(12)13-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyGYYPRPLUWCSYQR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

5-[3-(methylamino)propylsulfanyl]pyridin-2-amine
CID 106318328
5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
CID 82095718
4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
CID 63891001
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
CID 43301959
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
CID 22891048
5-(2-propoxyethylsulfanyl)pyridin-2-amine
CID 106453324
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
CID 104563701
5-N-(4-methylpentyl)pyridine-2,5-diamine
CID 63004274
5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
CID 43302260
3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 43301810
propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
CID 43301597
5-(ethoxymethylsulfanyl)pyridin-2-amine
CID 65369754

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentylsulfanyl)pyridin-2-amine?
The IUPAC name of 5-(4-methylpentylsulfanyl)pyridin-2-amine (CID 83158550) is 5-(4-methylpentylsulfanyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylpentylsulfanyl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylpentylsulfanyl)pyridin-2-amine is CC(C)CCCSc1ccc(N)nc1.
What is the InChIKey of 5-(4-methylpentylsulfanyl)pyridin-2-amine?
The InChIKey is GYYPRPLUWCSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(2)4-3-7-14-10-5-6-11(12)13-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13).
What are the key properties of 5-(4-methylpentylsulfanyl)pyridin-2-amine?
5-(4-methylpentylsulfanyl)pyridin-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 83158550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).