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

C11H19N3O — CID 104943087

IUPAC(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1CC1CCOCC1
InChIInChI=1S/C11H19N3O/c1-9(12)11-6-13-8-14(11)7-10-2-4-15-5-3-10/h6,8-10H,2-5,7,12H2,1H3/t9-/m1/s1
InChIKeyUNMRQTSJYXLFNG-SECBINFHSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds3

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

(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 104943087) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID104943087
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1CC1CCOCC1
InChIInChI=1S/C11H19N3O/c1-9(12)11-6-13-8-14(11)7-10-2-4-15-5-3-10/h6,8-10H,2-5,7,12H2,1H3/t9-/m1/s1
InChIKeyUNMRQTSJYXLFNG-SECBINFHSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942924
(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942562
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
1-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114704323
(1S)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethanamine
CID 104943749
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
CID 114705901
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 104943623

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine (CID 104943087) is (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1CC1CCOCC1.
What is the InChIKey of (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is UNMRQTSJYXLFNG-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)11-6-13-8-14(11)7-10-2-4-15-5-3-10/h6,8-10H,2-5,7,12H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).