2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide

C12H26N2OS — CID 115760384

IUPAC2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide
SMILESCCC(CC)(CN)C(=O)NCCCCSC
InChIInChI=1S/C12H26N2OS/c1-4-12(5-2,10-13)11(15)14-8-6-7-9-16-3/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyGAFKAXDHFBEZJL-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.01
Rot. Bonds9

About 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide

2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide (PubChem CID 115760384) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide
PubChem CID115760384
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide
SMILESCCC(CC)(CN)C(=O)NCCCCSC
InChIInChI=1S/C12H26N2OS/c1-4-12(5-2,10-13)11(15)14-8-6-7-9-16-3/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyGAFKAXDHFBEZJL-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylsulfanylpentyl)propanamide
CID 104920124
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
CID 113322317
2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
CID 63960224
N-(4-methylsulfanylbutyl)acetamide
CID 115635829
2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide
CID 106235054
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
2-amino-2-methyl-N-(2-methylsulfanylethyl)butanamide
CID 79811350
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
2-(aminomethyl)-2-ethyl-N-[2-(ethylsulfamoyl)ethyl]butanamide
CID 103840332
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide (CID 115760384) is 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide is CCC(CC)(CN)C(=O)NCCCCSC.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide?
The InChIKey is GAFKAXDHFBEZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-12(5-2,10-13)11(15)14-8-6-7-9-16-3/h4-10,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide has a molecular weight of 246.42 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide is sourced from PubChem (CID 115760384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).