2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile

C11H22N2S — CID 107755001

IUPAC2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile
SMILESCC(C)C(C)SCCCC(C)(N)C#N
InChIInChI=1S/C11H22N2S/c1-9(2)10(3)14-7-5-6-11(4,13)8-12/h9-10H,5-7,13H2,1-4H3
InChIKeyYOMSPBOGMRPHAS-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.79
Rot. Bonds6

About 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile

2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile (PubChem CID 107755001) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile
PubChem CID107755001
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile
SMILESCC(C)C(C)SCCCC(C)(N)C#N
InChIInChI=1S/C11H22N2S/c1-9(2)10(3)14-7-5-6-11(4,13)8-12/h9-10H,5-7,13H2,1-4H3
InChIKeyYOMSPBOGMRPHAS-UHFFFAOYSA-N
XLogP2.79
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.79
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

2-amino-6-(3-hydroxybutan-2-ylsulfanyl)-2-methylhexanenitrile
CID 107771673
2,2-dimethyl-6-(3-methylbutan-2-ylsulfanyl)hexanenitrile
CID 106832432
2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol
CID 107764728
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide
CID 107750268
5-(1-aminopropan-2-ylsulfanyl)-2,2-dimethylpentanenitrile
CID 66219584
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783
2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755874
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
CID 107764946
2-amino-5-(1H-imidazol-2-ylsulfanyl)-2-methylpentanenitrile
CID 107781637
2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile
CID 64726049
2-(4-bromobutylsulfanyl)-3-methylbutane
CID 107746902

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile (CID 107755001) is 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile is CC(C)C(C)SCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile?
The InChIKey is YOMSPBOGMRPHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)10(3)14-7-5-6-11(4,13)8-12/h9-10H,5-7,13H2,1-4H3.
What are the key properties of 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile?
2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile has a molecular weight of 214.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile is sourced from PubChem (CID 107755001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).