4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine

C12H25NS — CID 105140036

IUPAC4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)C1(C)CCCS1
InChIInChI=1S/C12H25NS/c1-11(2,3)8-6-10(13)12(4)7-5-9-14-12/h10H,5-9,13H2,1-4H3
InChIKeyJCKACQXQPANJQA-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.43
Rot. Bonds3

About 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine

4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine (PubChem CID 105140036) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine
PubChem CID105140036
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)C1(C)CCCS1
InChIInChI=1S/C12H25NS/c1-11(2,3)8-6-10(13)12(4)7-5-9-14-12/h10H,5-9,13H2,1-4H3
InChIKeyJCKACQXQPANJQA-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine (CID 105140036) is 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine is CC(C)(C)CCC(N)C1(C)CCCS1.
What is the InChIKey of 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
The InChIKey is JCKACQXQPANJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11(2,3)8-6-10(13)12(4)7-5-9-14-12/h10H,5-9,13H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine?
4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylthiolan-2-yl)pentan-1-amine is sourced from PubChem (CID 105140036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).