1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

C14H25N3O — CID 106554998

IUPAC1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-3-18-10-6-9-15-14-16-12(2)11-17(14)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeyGPTCPHZYEHXJMN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.15
Rot. Bonds7

About 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106554998) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106554998
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-3-18-10-6-9-15-14-16-12(2)11-17(14)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeyGPTCPHZYEHXJMN-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565750
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106554998) is 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCNc1nc(C)cn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is GPTCPHZYEHXJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-18-10-6-9-15-14-16-12(2)11-17(14)13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).