2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine

C11H24N2S — CID 43205440

IUPAC2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCSC1)N(C)C
InChIInChI=1S/C11H24N2S/c1-9(2)11(13(3)4)7-12-10-5-6-14-8-10/h9-12H,5-8H2,1-4H3
InChIKeyPQDVHQPOOOAMOT-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds5

About 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine (PubChem CID 43205440) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
PubChem CID43205440
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCSC1)N(C)C
InChIInChI=1S/C11H24N2S/c1-9(2)11(13(3)4)7-12-10-5-6-14-8-10/h9-12H,5-8H2,1-4H3
InChIKeyPQDVHQPOOOAMOT-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-Thienyl)methyl]propylamine
CID 64164879
3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878
3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 28654137
N-(2-methylpropyl)thiolan-3-amine
CID 43177338
3-Pyrrolidinamine, 4-[(methylthio)methyl]-
CID 45078941
3-(Propan-2-ylsulfanylmethyl)pyrrolidine
CID 53711072
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
N,N-dimethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 53910332
4-(Ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53918466
N-ethyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53930399

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine (CID 43205440) is 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine is CC(C)C(CNC1CCSC1)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The InChIKey is PQDVHQPOOOAMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-9(2)11(13(3)4)7-12-10-5-6-14-8-10/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 43205440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).