5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine

C10H19N3O — CID 121451389

IUPAC5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(COC2CCCCC2)N1
InChIInChI=1S/C10H19N3O/c11-10-12-6-8(13-10)7-14-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,11,12,13)
InChIKeyUEFAWPJGRGZKHK-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds3

About 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine

5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 121451389) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID121451389
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(COC2CCCCC2)N1
InChIInChI=1S/C10H19N3O/c11-10-12-6-8(13-10)7-14-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,11,12,13)
InChIKeyUEFAWPJGRGZKHK-UHFFFAOYSA-N
XLogP0.62
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 121451389) is 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(COC2CCCCC2)N1.
What is the InChIKey of 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UEFAWPJGRGZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-10-12-6-8(13-10)7-14-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,11,12,13).
What are the key properties of 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine?
5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexyloxymethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 121451389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).