N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine

C11H19N3O — CID 82725040

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCCn1ccnc1CNC1CCOC1C
InChIInChI=1S/C11H19N3O/c1-3-14-6-5-12-11(14)8-13-10-4-7-15-9(10)2/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeySBXOQYKWLUERLF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.17
Rot. Bonds4

About N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine

N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 82725040) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine
PubChem CID82725040
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCCn1ccnc1CNC1CCOC1C
InChIInChI=1S/C11H19N3O/c1-3-14-6-5-12-11(14)8-13-10-4-7-15-9(10)2/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeySBXOQYKWLUERLF-UHFFFAOYSA-N
XLogP1.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine (CID 82725040) is N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine is CCn1ccnc1CNC1CCOC1C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is SBXOQYKWLUERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14-6-5-12-11(14)8-13-10-4-7-15-9(10)2/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine?
N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 82725040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).