2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine

C12H23NS2 — CID 115387151

IUPAC2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(CC1CC1)C1SCCSC1C
InChIInChI=1S/C12H23NS2/c1-3-13-11(8-10-4-5-10)12-9(2)14-6-7-15-12/h9-13H,3-8H2,1-2H3
InChIKeyCJBVIJPRGJFGLL-UHFFFAOYSA-N
MW245.46 g/mol
LogP3.00
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine

2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine (PubChem CID 115387151) has the molecular formula C12H23NS2 and a molecular weight of 245.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
PubChem CID115387151
Molecular FormulaC12H23NS2
Molecular Weight245.46 g/mol
Exact Mass245.13
IUPAC Name2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(CC1CC1)C1SCCSC1C
InChIInChI=1S/C12H23NS2/c1-3-13-11(8-10-4-5-10)12-9(2)14-6-7-15-12/h9-13H,3-8H2,1-2H3
InChIKeyCJBVIJPRGJFGLL-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hexan-1-amine
CID 115387051
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hex-4-yn-1-amine
CID 104807202
N-ethyl-4-methoxy-1-(3-methyl-1,4-dithian-2-yl)butan-1-amine
CID 114856760
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-phenylpropan-1-amine
CID 115387134
N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 83183374
2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387174
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
CID 115387062
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115387152
N-[(2-ethylcyclohexyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387131
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
N-methyl-1-(3-methyl-1,4-dithian-2-yl)but-3-en-1-amine
CID 115386776

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine (CID 115387151) is 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine is CCNC(CC1CC1)C1SCCSC1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is CJBVIJPRGJFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS2/c1-3-13-11(8-10-4-5-10)12-9(2)14-6-7-15-12/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 245.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 115387151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).