N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine

C14H21N3OS — CID 106578003

IUPACN-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1Cc1sccc1C
InChIInChI=1S/C14H21N3OS/c1-3-18-9-4-6-15-14-16-7-8-17(14)11-13-12(2)5-10-19-13/h5,7-8,10H,3-4,6,9,11H2,1-2H3,(H,15,16)
InChIKeyHVUMNVYSIIBICQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.14
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine

N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine (PubChem CID 106578003) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
PubChem CID106578003
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1Cc1sccc1C
InChIInChI=1S/C14H21N3OS/c1-3-18-9-4-6-15-14-16-7-8-17(14)11-13-12(2)5-10-19-13/h5,7-8,10H,3-4,6,9,11H2,1-2H3,(H,15,16)
InChIKeyHVUMNVYSIIBICQ-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine (CID 106578003) is N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine is CCOCCCNc1nccn1Cc1sccc1C.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The InChIKey is HVUMNVYSIIBICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-18-9-4-6-15-14-16-7-8-17(14)11-13-12(2)5-10-19-13/h5,7-8,10H,3-4,6,9,11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106578003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).