(NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine

C12H20N2OS — CID 5493117

IUPAC(NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine
SMILESCCN(CC)CCC/C(=N\O)c1ccsc1
InChIInChI=1S/C12H20N2OS/c1-3-14(4-2)8-5-6-12(13-15)11-7-9-16-10-11/h7,9-10,15H,3-6,8H2,1-2H3/b13-12+
InChIKeyYXOIFPANQMRWSA-OUKQBFOZSA-N
MW240.37 g/mol
LogP3.05
Rot. Bonds7

About (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine

(NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine (PubChem CID 5493117) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine
PubChem CID5493117
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine
SMILESCCN(CC)CCC/C(=N\O)c1ccsc1
InChIInChI=1S/C12H20N2OS/c1-3-14(4-2)8-5-6-12(13-15)11-7-9-16-10-11/h7,9-10,15H,3-6,8H2,1-2H3/b13-12+
InChIKeyYXOIFPANQMRWSA-OUKQBFOZSA-N
XLogP3.05
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
N-[5-[2-[2-(diethylamino)ethyl]phenyl]-1-phenylpentylidene]hydroxylamine
CID 88690085
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
CID 125485859
1-[4-(diethylamino)butyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111938912
2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone
CID 118140915
3-but-1-en-2-ylthiophene
CID 91086928
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
1-[3-(diethylamino)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702757
1-[3-(diethylamino)propyl]-3-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111654972
N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine
CID 143220817
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine (CID 5493117) is (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine is CCN(CC)CCC/C(=N\O)c1ccsc1.
What is the InChIKey of (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine?
The InChIKey is YXOIFPANQMRWSA-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-14(4-2)8-5-6-12(13-15)11-7-9-16-10-11/h7,9-10,15H,3-6,8H2,1-2H3/b13-12+.
What are the key properties of (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine?
(NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine has a molecular weight of 240.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-(diethylamino)-1-thiophen-3-ylbutylidene]hydroxylamine is sourced from PubChem (CID 5493117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).