2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine

C10H16N2S — CID 116679496

IUPAC2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCC2CNC2)c1
InChIInChI=1S/C10H16N2S/c1-2-10(13-5-1)8-11-4-3-9-6-12-7-9/h1-2,5,9,11-12H,3-4,6-8H2
InChIKeyIJNZPJOBGQWTBJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.45
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 116679496) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID116679496
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCC2CNC2)c1
InChIInChI=1S/C10H16N2S/c1-2-10(13-5-1)8-11-4-3-9-6-12-7-9/h1-2,5,9,11-12H,3-4,6-8H2
InChIKeyIJNZPJOBGQWTBJ-UHFFFAOYSA-N
XLogP1.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 116680120
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 81044233
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010
(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol
CID 10988011
2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 116679709
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 116679496) is 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CNCCC2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is IJNZPJOBGQWTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-10(13-5-1)8-11-4-3-9-6-12-7-9/h1-2,5,9,11-12H,3-4,6-8H2.
What are the key properties of 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 196.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 116679496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).