2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine

C10H17N3O — CID 81330415

IUPAC2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)Cc2ncc[nH]2)O1
InChIInChI=1S/C10H17N3O/c1-7-2-3-9(14-7)8(11)6-10-12-4-5-13-10/h4-5,7-9H,2-3,6,11H2,1H3,(H,12,13)
InChIKeyAAEXHDHKOAOEKY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.85
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine

2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 81330415) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID81330415
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)Cc2ncc[nH]2)O1
InChIInChI=1S/C10H17N3O/c1-7-2-3-9(14-7)8(11)6-10-12-4-5-13-10/h4-5,7-9H,2-3,6,11H2,1H3,(H,12,13)
InChIKeyAAEXHDHKOAOEKY-UHFFFAOYSA-N
XLogP0.85
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027
1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
CID 107000929
1-(5-methyloxolan-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 81329760
1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
CID 131219612
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole
CID 61096378
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115839233
2-(2-bromopropyl)-1H-imidazole
CID 61096377

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine (CID 81330415) is 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine is CC1CCC(C(N)Cc2ncc[nH]2)O1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is AAEXHDHKOAOEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-2-3-9(14-7)8(11)6-10-12-4-5-13-10/h4-5,7-9H,2-3,6,11H2,1H3,(H,12,13).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 81330415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).