(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine

C8H12N2OS — CID 58684477

IUPAC(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine
SMILESC/C(CN)=N\OCc1cccs1
InChIInChI=1S/C8H12N2OS/c1-7(5-9)10-11-6-8-3-2-4-12-8/h2-4H,5-6,9H2,1H3/b10-7+
InChIKeyGWNPOWZZPXREBN-JXMROGBWSA-N
MW184.26 g/mol
LogP1.60
Rot. Bonds4

About (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine

(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine (PubChem CID 58684477) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine.

Molecular Properties

Compound Name(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine
PubChem CID58684477
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine
SMILESC/C(CN)=N\OCc1cccs1
InChIInChI=1S/C8H12N2OS/c1-7(5-9)10-11-6-8-3-2-4-12-8/h2-4H,5-6,9H2,1H3/b10-7+
InChIKeyGWNPOWZZPXREBN-JXMROGBWSA-N
XLogP1.60
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethoxy)propan-2-imine
CID 142060545
2-(methoxymethyl)thiophene
CID 10240820
3-(thiophen-2-ylmethoxy)butan-1-amine
CID 114995869
2-methyl-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62354417
2-(ethoxymethyl)thiophene
CID 12699283
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine
CID 173361477
thiophen-2-ylmethyl 2-acetylsulfanylacetate
CID 139696751
ethanamine;ethane;thiophen-2-ylmethanol
CID 143500491
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine
CID 21082383

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine?
The IUPAC name of (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine (CID 58684477) is (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine.
What is the SMILES notation for (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine?
The canonical SMILES for (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine is C/C(CN)=N\OCc1cccs1.
What is the InChIKey of (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine?
The InChIKey is GWNPOWZZPXREBN-JXMROGBWSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-7(5-9)10-11-6-8-3-2-4-12-8/h2-4H,5-6,9H2,1H3/b10-7+.
What are the key properties of (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine?
(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine has a molecular weight of 184.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine is sourced from PubChem (CID 58684477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).