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

C11H19N3O — CID 104942562

IUPAC(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CC1CCCOC1
InChIInChI=1S/C11H19N3O/c1-9(12)11-5-13-8-14(11)6-10-3-2-4-15-7-10/h5,8-10H,2-4,6-7,12H2,1H3/t9-,10?/m0/s1
InChIKeyZSGXKOJXZNMRNM-RGURZIINSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds3

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

(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 104942562) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID104942562
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CC1CCCOC1
InChIInChI=1S/C11H19N3O/c1-9(12)11-5-13-8-14(11)6-10-3-2-4-15-7-10/h5,8-10H,2-4,6-7,12H2,1H3/t9-,10?/m0/s1
InChIKeyZSGXKOJXZNMRNM-RGURZIINSA-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

(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942924
(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-(oxan-3-ylmethyl)imidazol-4-yl]methanamine
CID 66149687
2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
CID 114704890
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
1-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114704323
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine (CID 104942562) is (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1CC1CCCOC1.
What is the InChIKey of (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is ZSGXKOJXZNMRNM-RGURZIINSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)11-5-13-8-14(11)6-10-3-2-4-15-7-10/h5,8-10H,2-4,6-7,12H2,1H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(oxan-3-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 (1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).