2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide

C12H26N2OS — CID 115739021

IUPAC2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
SMILESCSC(C)CCNC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)7-11(8-13)12(15)14-6-5-10(3)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyIJKIDRKZWIDELQ-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.87
Rot. Bonds8

About 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide

2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide (PubChem CID 115739021) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
PubChem CID115739021
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
SMILESCSC(C)CCNC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)7-11(8-13)12(15)14-6-5-10(3)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyIJKIDRKZWIDELQ-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methylsulfanylbutyl)acetamide
CID 115734039
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 115738674
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739679
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-4-methylpentanamide
CID 113266963
3,3-dimethyl-2-(3-methylsulfanylbutylcarbamoyl)butanoic acid
CID 116537516
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
methyl 4-[(2-ethyl-4-methylpentanoyl)amino]-2-methylbutanoate
CID 21364483
2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide (CID 115739021) is 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide is CSC(C)CCNC(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide?
The InChIKey is IJKIDRKZWIDELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-9(2)7-11(8-13)12(15)14-6-5-10(3)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide?
2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide has a molecular weight of 246.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide is sourced from PubChem (CID 115739021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).