2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine

C12H23NS2 — CID 103345724

IUPAC2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(CC1CC1)C1CSC(C)C(C)S1
InChIInChI=1S/C12H23NS2/c1-8-9(2)15-12(7-14-8)11(13-3)6-10-4-5-10/h8-13H,4-7H2,1-3H3
InChIKeyJLLJTBKYALBIMN-UHFFFAOYSA-N
MW245.46 g/mol
LogP3.00
Rot. Bonds4

About 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine

2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine (PubChem CID 103345724) has the molecular formula C12H23NS2 and a molecular weight of 245.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
PubChem CID103345724
Molecular FormulaC12H23NS2
Molecular Weight245.46 g/mol
Exact Mass245.13
IUPAC Name2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(CC1CC1)C1CSC(C)C(C)S1
InChIInChI=1S/C12H23NS2/c1-8-9(2)15-12(7-14-8)11(13-3)6-10-4-5-10/h8-13H,4-7H2,1-3H3
InChIKeyJLLJTBKYALBIMN-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 103345778
1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345709
2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
CID 80626908
1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103346005
[2-(3,3-difluorocyclopentyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 114226004
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylbutan-1-amine
CID 103346032
2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345750
cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345165
N-[cyclobutyl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346149
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103345824
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103346014

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
The IUPAC name of 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine (CID 103345724) is 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine is CNC(CC1CC1)C1CSC(C)C(C)S1.
What is the InChIKey of 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
The InChIKey is JLLJTBKYALBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS2/c1-8-9(2)15-12(7-14-8)11(13-3)6-10-4-5-10/h8-13H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine has a molecular weight of 245.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine is sourced from PubChem (CID 103345724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).