2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile

C12H22N2S — CID 64711370

IUPAC2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
SMILESCC(CC(C)(N)C#N)SCC1CCCC1
InChIInChI=1S/C12H22N2S/c1-10(7-12(2,14)9-13)15-8-11-5-3-4-6-11/h10-11H,3-8,14H2,1-2H3
InChIKeyBDTNSKLHFPVDCN-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile

2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile (PubChem CID 64711370) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
PubChem CID64711370
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
SMILESCC(CC(C)(N)C#N)SCC1CCCC1
InChIInChI=1S/C12H22N2S/c1-10(7-12(2,14)9-13)15-8-11-5-3-4-6-11/h10-11H,3-8,14H2,1-2H3
InChIKeyBDTNSKLHFPVDCN-UHFFFAOYSA-N
XLogP2.93
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile
CID 106495473
2-amino-2-methyl-4-(2-methylpropylsulfanyl)pentanenitrile
CID 64726049
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64807801
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64807799
2-amino-4-(2,3-dihydroxypropylsulfanyl)-2-methylpentanenitrile
CID 79671528
2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine
CID 63119306
ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64704550
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727500
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
4-(cyclopentylmethylsulfanyl)-2,2-dimethylbutanenitrile
CID 65256662
2-(cyclopentylmethylsulfanyl)pentan-3-amine
CID 64627210

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile (CID 64711370) is 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile is CC(CC(C)(N)C#N)SCC1CCCC1.
What is the InChIKey of 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile?
The InChIKey is BDTNSKLHFPVDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10(7-12(2,14)9-13)15-8-11-5-3-4-6-11/h10-11H,3-8,14H2,1-2H3.
What are the key properties of 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile?
2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile has a molecular weight of 226.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile is sourced from PubChem (CID 64711370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).