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

C11H21NS2 — CID 115387594

IUPAC2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
SMILESCCC1SCCSC1C(N)CC1CC1
InChIInChI=1S/C11H21NS2/c1-2-10-11(14-6-5-13-10)9(12)7-8-3-4-8/h8-11H,2-7,12H2,1H3
InChIKeyPRFMJEZPZVMWRO-UHFFFAOYSA-N
MW231.43 g/mol
LogP2.74
Rot. Bonds4

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

2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine (PubChem CID 115387594) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
PubChem CID115387594
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC Name2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
SMILESCCC1SCCSC1C(N)CC1CC1
InChIInChI=1S/C11H21NS2/c1-2-10-11(14-6-5-13-10)9(12)7-8-3-4-8/h8-11H,2-7,12H2,1H3
InChIKeyPRFMJEZPZVMWRO-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine (CID 115387594) is 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine is CCC1SCCSC1C(N)CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is PRFMJEZPZVMWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS2/c1-2-10-11(14-6-5-13-10)9(12)7-8-3-4-8/h8-11H,2-7,12H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 231.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 115387594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).