N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine

C13H24N4O — CID 106566544

IUPACN-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C1CCN(C)C1
InChIInChI=1S/C13H24N4O/c1-3-18-10-4-6-14-13-15-7-9-17(13)12-5-8-16(2)11-12/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,14,15)
InChIKeyDNJFQOMNHANPOB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds7

About N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine

N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine (PubChem CID 106566544) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
PubChem CID106566544
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C1CCN(C)C1
InChIInChI=1S/C13H24N4O/c1-3-18-10-4-6-14-13-15-7-9-17(13)12-5-8-16(2)11-12/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,14,15)
InChIKeyDNJFQOMNHANPOB-UHFFFAOYSA-N
XLogP1.60
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
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-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578750
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574360
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine (CID 106566544) is N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine is CCOCCCNc1nccn1C1CCN(C)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The InChIKey is DNJFQOMNHANPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-18-10-4-6-14-13-15-7-9-17(13)12-5-8-16(2)11-12/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,14,15).
What are the key properties of N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine is sourced from PubChem (CID 106566544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).