N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine

C15H27N3O — CID 106568338

IUPACN-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCCCCOCCNc1nc(C)cn1C1CCCC1
InChIInChI=1S/C15H27N3O/c1-3-4-10-19-11-9-16-15-17-13(2)12-18(15)14-7-5-6-8-14/h12,14H,3-11H2,1-2H3,(H,16,17)
InChIKeyKWVGORVSBSCPDF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds8

About N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine

N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106568338) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106568338
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCCCCOCCNc1nc(C)cn1C1CCCC1
InChIInChI=1S/C15H27N3O/c1-3-4-10-19-11-9-16-15-17-13(2)12-18(15)14-7-5-6-8-14/h12,14H,3-11H2,1-2H3,(H,16,17)
InChIKeyKWVGORVSBSCPDF-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582379
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclohexyl-4-methyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563445
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565750

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine (CID 106568338) is N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine is CCCCOCCNc1nc(C)cn1C1CCCC1.
What is the InChIKey of N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is KWVGORVSBSCPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-4-10-19-11-9-16-15-17-13(2)12-18(15)14-7-5-6-8-14/h12,14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine?
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106568338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).