2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile

C10H20N2S — CID 64726049

IUPAC2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile
SMILESCC(C)CSC(C)CC(C)(N)C#N
InChIInChI=1S/C10H20N2S/c1-8(2)6-13-9(3)5-10(4,12)7-11/h8-9H,5-6,12H2,1-4H3
InChIKeyAJBHWZPMSGWCMN-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile

2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile (PubChem CID 64726049) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile
PubChem CID64726049
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile
SMILESCC(C)CSC(C)CC(C)(N)C#N
InChIInChI=1S/C10H20N2S/c1-8(2)6-13-9(3)5-10(4,12)7-11/h8-9H,5-6,12H2,1-4H3
InChIKeyAJBHWZPMSGWCMN-UHFFFAOYSA-N
XLogP2.40
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile (CID 64726049) is 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile is CC(C)CSC(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile?
The InChIKey is AJBHWZPMSGWCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)6-13-9(3)5-10(4,12)7-11/h8-9H,5-6,12H2,1-4H3.
What are the key properties of 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile?
2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile has a molecular weight of 200.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile is sourced from PubChem (CID 64726049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).