2-(4-propan-2-yloxythian-4-yl)ethanamine

C10H21NOS — CID 115023207

IUPAC2-(4-propan-2-yloxythian-4-yl)ethanamine
SMILESCC(C)OC1(CCN)CCSCC1
InChIInChI=1S/C10H21NOS/c1-9(2)12-10(3-6-11)4-7-13-8-5-10/h9H,3-8,11H2,1-2H3
InChIKeyZNZOFALWVHLFNL-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.03
Rot. Bonds4

About 2-(4-propan-2-yloxythian-4-yl)ethanamine

2-(4-propan-2-yloxythian-4-yl)ethanamine (PubChem CID 115023207) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-(4-propan-2-yloxythian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-propan-2-yloxythian-4-yl)ethanamine
PubChem CID115023207
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-(4-propan-2-yloxythian-4-yl)ethanamine
SMILESCC(C)OC1(CCN)CCSCC1
InChIInChI=1S/C10H21NOS/c1-9(2)12-10(3-6-11)4-7-13-8-5-10/h9H,3-8,11H2,1-2H3
InChIKeyZNZOFALWVHLFNL-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxythian-4-yl)ethanamine
CID 105443962
2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)ethanamine
CID 115014061
2-(3-propan-2-yloxyoxolan-3-yl)ethanamine
CID 115014175
2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine
CID 115023208
(4-methoxythian-4-yl)methanamine
CID 66072794
2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
CID 23339573
2-[1-(2-methylpropoxy)cyclobutyl]ethanamine
CID 103273099
(4-methoxythiepan-4-yl)methanamine
CID 105436308
2-(1-methoxycyclopropyl)ethanamine;hydrochloride
CID 134819042
2-(4-cyclopropylthian-4-yl)ethanamine
CID 83817513
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
CID 81059213
(6-propan-2-yloxy-1,4-dioxepan-6-yl)methanamine
CID 130559876

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxythian-4-yl)ethanamine?
The IUPAC name of 2-(4-propan-2-yloxythian-4-yl)ethanamine (CID 115023207) is 2-(4-propan-2-yloxythian-4-yl)ethanamine.
What is the SMILES notation for 2-(4-propan-2-yloxythian-4-yl)ethanamine?
The canonical SMILES for 2-(4-propan-2-yloxythian-4-yl)ethanamine is CC(C)OC1(CCN)CCSCC1.
What is the InChIKey of 2-(4-propan-2-yloxythian-4-yl)ethanamine?
The InChIKey is ZNZOFALWVHLFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2)12-10(3-6-11)4-7-13-8-5-10/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxythian-4-yl)ethanamine?
2-(4-propan-2-yloxythian-4-yl)ethanamine has a molecular weight of 203.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxythian-4-yl)ethanamine is sourced from PubChem (CID 115023207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).