N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine

C14H21N3OS — CID 62566108

IUPACN-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
SMILESCOCCNCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3OS/c1-18-11-8-15-6-2-3-9-17-10-7-16-14(17)13-5-4-12-19-13/h4-5,7,10,12,15H,2-3,6,8-9,11H2,1H3
InChIKeyFEUDRKOFYWSZIT-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.63
Rot. Bonds9

About N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine

N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine (PubChem CID 62566108) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
PubChem CID62566108
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine
SMILESCOCCNCCCCn1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3OS/c1-18-11-8-15-6-2-3-9-17-10-7-16-14(17)13-5-4-12-19-13/h4-5,7,10,12,15H,2-3,6,8-9,11H2,1H3
InChIKeyFEUDRKOFYWSZIT-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567030
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
CID 116621663
3-(2-ethylimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62566094
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
CID 62565929
methyl 2-(methylamino)-4-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 55143949
2-ethyl-2-(methylamino)-5-(2-thiophen-2-ylimidazol-1-yl)pentanoic acid
CID 106806640
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine (CID 62566108) is N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine is COCCNCCCCn1ccnc1-c1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine?
The InChIKey is FEUDRKOFYWSZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-18-11-8-15-6-2-3-9-17-10-7-16-14(17)13-5-4-12-19-13/h4-5,7,10,12,15H,2-3,6,8-9,11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine?
N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-thiophen-2-ylimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 62566108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).