N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine

C14H25N3O — CID 106581840

IUPACN-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C1CCC(C)C1
InChIInChI=1S/C14H25N3O/c1-3-18-10-4-7-15-14-16-8-9-17(14)13-6-5-12(2)11-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,15,16)
InChIKeyBKLHYTMFAZAPPH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.08
Rot. Bonds7

About N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine

N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine (PubChem CID 106581840) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
PubChem CID106581840
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C1CCC(C)C1
InChIInChI=1S/C14H25N3O/c1-3-18-10-4-7-15-14-16-8-9-17(14)13-6-5-12(2)11-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,15,16)
InChIKeyBKLHYTMFAZAPPH-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726
N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
CID 106581425
N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566544
1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578750
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574360
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine (CID 106581840) is N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine is CCOCCCNc1nccn1C1CCC(C)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine?
The InChIKey is BKLHYTMFAZAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-18-10-4-7-15-14-16-8-9-17(14)13-6-5-12(2)11-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine?
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine is sourced from PubChem (CID 106581840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).