2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine

C13H23N3O — CID 83824513

IUPAC2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine
SMILESCOCc1ncc(CCN)n1C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-17-10-13-15-9-12(7-8-14)16(13)11-5-3-2-4-6-11/h9,11H,2-8,10,14H2,1H3
InChIKeyNCUFFXNVWXCHSU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.04
Rot. Bonds5

About 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine

2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine (PubChem CID 83824513) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine
PubChem CID83824513
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine
SMILESCOCc1ncc(CCN)n1C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-17-10-13-15-9-12(7-8-14)16(13)11-5-3-2-4-6-11/h9,11H,2-8,10,14H2,1H3
InChIKeyNCUFFXNVWXCHSU-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
4-cyclopentyl-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione
CID 27261286
5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride
CID 174393482
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethanamine
CID 83849345
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide
CID 110203803
2-(1-cyclopentyl-5-methylimidazol-2-yl)acetic acid
CID 83883906
2-(1-cyclopentylindol-2-yl)ethanamine
CID 115115551
1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid
CID 69197750
2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61363149
3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069001

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine (CID 83824513) is 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine is COCc1ncc(CCN)n1C1CCCCC1.
What is the InChIKey of 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine?
The InChIKey is NCUFFXNVWXCHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-17-10-13-15-9-12(7-8-14)16(13)11-5-3-2-4-6-11/h9,11H,2-8,10,14H2,1H3.
What are the key properties of 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine?
2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 83824513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).