(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine

C10H17N3O — CID 104942924

IUPAC(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1CC1CCOC1
InChIInChI=1S/C10H17N3O/c1-8(11)10-4-12-7-13(10)5-9-2-3-14-6-9/h4,7-9H,2-3,5-6,11H2,1H3/t8-,9?/m1/s1
InChIKeyBIDNHYWOOBAGGJ-VEDVMXKPSA-N
MW195.27 g/mol
LogP0.94
Rot. Bonds3

About (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 104942924) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID104942924
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1CC1CCOC1
InChIInChI=1S/C10H17N3O/c1-8(11)10-4-12-7-13(10)5-9-2-3-14-6-9/h4,7-9H,2-3,5-6,11H2,1H3/t8-,9?/m1/s1
InChIKeyBIDNHYWOOBAGGJ-VEDVMXKPSA-N
XLogP0.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942562
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
1-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114704323
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
(1S)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethanamine
CID 104943749
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine
CID 66149687

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine (CID 104942924) is (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1CC1CCOC1.
What is the InChIKey of (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is BIDNHYWOOBAGGJ-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(11)10-4-12-7-13(10)5-9-2-3-14-6-9/h4,7-9H,2-3,5-6,11H2,1H3/t8-,9?/m1/s1.
What are the key properties of (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).