[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine

C9H15N3O — CID 96589936

IUPAC[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine
SMILESCOCc1[nH]c(C2CC2)nc1CN
InChIInChI=1S/C9H15N3O/c1-13-5-8-7(4-10)11-9(12-8)6-2-3-6/h6H,2-5,10H2,1H3,(H,11,12)
InChIKeyUMCNDDZTQLICMT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds4

About [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine

[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine (PubChem CID 96589936) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine
PubChem CID96589936
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine
SMILESCOCc1[nH]c(C2CC2)nc1CN
InChIInChI=1S/C9H15N3O/c1-13-5-8-7(4-10)11-9(12-8)6-2-3-6/h6H,2-5,10H2,1H3,(H,11,12)
InChIKeyUMCNDDZTQLICMT-UHFFFAOYSA-N
XLogP0.89
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]cyclohexan-1-amine
CID 82237217
(2,4-dicyclopropyl-1H-imidazol-5-yl)methanamine
CID 82373863
(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine
CID 82373833
3-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]cyclohexan-1-amine
CID 82237881
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
[2-cyclopropyl-6-(methoxymethyl)pyrimidin-4-yl]methanamine
CID 121206851
2-cyclopropyl-4-ethyl-5-methyl-1H-imidazole
CID 123293833
(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine
CID 82373843
[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
CID 115015957
6-(methoxymethyl)-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106477693
[2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 115037326
[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 55289219

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine?
The IUPAC name of [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine (CID 96589936) is [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine is COCc1[nH]c(C2CC2)nc1CN.
What is the InChIKey of [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine?
The InChIKey is UMCNDDZTQLICMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-5-8-7(4-10)11-9(12-8)6-2-3-6/h6H,2-5,10H2,1H3,(H,11,12).
What are the key properties of [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine?
[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 96589936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).