1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine

C15H27N3O2 — CID 106578750

IUPAC1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C1CCOC(C)(C)C1
InChIInChI=1S/C15H27N3O2/c1-4-19-10-5-7-16-14-17-8-9-18(14)13-6-11-20-15(2,3)12-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,16,17)
InChIKeyVNOFWVDYWONFMK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.85
Rot. Bonds7

About 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine

1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106578750) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106578750
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C1CCOC(C)(C)C1
InChIInChI=1S/C15H27N3O2/c1-4-19-10-5-7-16-14-17-8-9-18(14)13-6-11-20-15(2,3)12-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,16,17)
InChIKeyVNOFWVDYWONFMK-UHFFFAOYSA-N
XLogP2.85
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.85
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-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566544
1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106564758
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N-(3-ethoxypropyl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582627
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-ethyl-1-(oxolan-3-yl)imidazol-2-amine
CID 106577306

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine (CID 106578750) is 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is VNOFWVDYWONFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-19-10-5-7-16-14-17-8-9-18(14)13-6-11-20-15(2,3)12-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,16,17).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine?
1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106578750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).