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

C15H27N3O — CID 106561789

IUPAC1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC1CCCC1
InChIInChI=1S/C15H27N3O/c1-3-19-10-6-9-16-15-17-13(2)11-18(15)12-14-7-4-5-8-14/h11,14H,3-10,12H2,1-2H3,(H,16,17)
InChIKeyWTJHOKUFWQJTMJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.22
Rot. Bonds8

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

1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106561789) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106561789
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC1CCCC1
InChIInChI=1S/C15H27N3O/c1-3-19-10-6-9-16-15-17-13(2)11-18(15)12-14-7-4-5-8-14/h11,14H,3-10,12H2,1-2H3,(H,16,17)
InChIKeyWTJHOKUFWQJTMJ-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.22
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

N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571745
1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555207
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259
N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine
CID 106578093
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106561789) is 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCNc1nc(C)cn1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is WTJHOKUFWQJTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-19-10-6-9-16-15-17-13(2)11-18(15)12-14-7-4-5-8-14/h11,14H,3-10,12H2,1-2H3,(H,16,17).
What are the key properties of 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106561789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).