2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine

C14H21N3O — CID 112752640

IUPAC2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCCC2)nc(COC)c1N
InChIInChI=1S/C14H21N3O/c1-3-9-17-13(15)12(10-18-2)16-14(17)11-7-5-4-6-8-11/h1,11H,4-10,15H2,2H3
InChIKeyWIQFIDXEZQHVKM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds4

About 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine

2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 112752640) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine
PubChem CID112752640
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCCC2)nc(COC)c1N
InChIInChI=1S/C14H21N3O/c1-3-9-17-13(15)12(10-18-2)16-14(17)11-7-5-4-6-8-11/h1,11H,4-10,15H2,2H3
InChIKeyWIQFIDXEZQHVKM-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine
CID 62222440
5-cyclohexyl-2-cyclopropyl-3-prop-2-ynylimidazol-4-amine
CID 62218974
5-benzyl-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
CID 62222430
2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
CID 62218449
2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 55048559
5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
CID 62223834
2-cyclohexyl-5-(2,2-dimethylpropyl)-3-ethylimidazol-4-amine
CID 62966189
2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62218804
2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine
CID 62223842
3-butyl-2-cyclohexyl-5-(2,2-dimethylpropyl)imidazol-4-amine
CID 63467488
2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine
CID 62966344
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine (CID 112752640) is 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C2CCCCC2)nc(COC)c1N.
What is the InChIKey of 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is WIQFIDXEZQHVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-9-17-13(15)12(10-18-2)16-14(17)11-7-5-4-6-8-11/h1,11H,4-10,15H2,2H3.
What are the key properties of 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine?
2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 112752640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).