N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine

C15H28N4O2 — CID 106561310

IUPACN-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CCCN1CCOCC1
InChIInChI=1S/C15H28N4O2/c1-2-20-12-3-5-16-15-17-6-9-19(15)8-4-7-18-10-13-21-14-11-18/h6,9H,2-5,7-8,10-14H2,1H3,(H,16,17)
InChIKeyINJSUMBGWKDTIO-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.44
Rot. Bonds10

About N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine

N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine (PubChem CID 106561310) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
PubChem CID106561310
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CCCN1CCOCC1
InChIInChI=1S/C15H28N4O2/c1-2-20-12-3-5-16-15-17-6-9-19(15)8-4-7-18-10-13-21-14-11-18/h6,9H,2-5,7-8,10-14H2,1H3,(H,16,17)
InChIKeyINJSUMBGWKDTIO-UHFFFAOYSA-N
XLogP1.44
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-ylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine (CID 106561310) is N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine is CCOCCCNc1nccn1CCCN1CCOCC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine?
The InChIKey is INJSUMBGWKDTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-20-12-3-5-16-15-17-6-9-19(15)8-4-7-18-10-13-21-14-11-18/h6,9H,2-5,7-8,10-14H2,1H3,(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine?
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine has a molecular weight of 296.42 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine is sourced from PubChem (CID 106561310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).