3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine

C11H23NS2 — CID 59602983

IUPAC3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine
SMILESCC1(CC(N)C(C)(C)C)SCCCS1
InChIInChI=1S/C11H23NS2/c1-10(2,3)9(12)8-11(4)13-6-5-7-14-11/h9H,5-8,12H2,1-4H3
InChIKeyZJTGHVGYXPEOIS-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.34
Rot. Bonds2

About 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine

3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine (PubChem CID 59602983) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine
PubChem CID59602983
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Name3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine
SMILESCC1(CC(N)C(C)(C)C)SCCCS1
InChIInChI=1S/C11H23NS2/c1-10(2,3)9(12)8-11(4)13-6-5-7-14-11/h9H,5-8,12H2,1-4H3
InChIKeyZJTGHVGYXPEOIS-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine (CID 59602983) is 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine is CC1(CC(N)C(C)(C)C)SCCCS1.
What is the InChIKey of 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine?
The InChIKey is ZJTGHVGYXPEOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-10(2,3)9(12)8-11(4)13-6-5-7-14-11/h9H,5-8,12H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine?
3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine has a molecular weight of 233.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methyl-1,3-dithian-2-yl)butan-2-amine is sourced from PubChem (CID 59602983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).