1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine

C11H19N3O2 — CID 104762687

IUPAC1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
SMILESCCn1ccnc1NCC1(OC)CCOC1
InChIInChI=1S/C11H19N3O2/c1-3-14-6-5-12-10(14)13-8-11(15-2)4-7-16-9-11/h5-6H,3-4,7-9H2,1-2H3,(H,12,13)
InChIKeyVBLINVIOWPSAHA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.12
Rot. Bonds5

About 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine

1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine (PubChem CID 104762687) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
PubChem CID104762687
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
SMILESCCn1ccnc1NCC1(OC)CCOC1
InChIInChI=1S/C11H19N3O2/c1-3-14-6-5-12-10(14)13-8-11(15-2)4-7-16-9-11/h5-6H,3-4,7-9H2,1-2H3,(H,12,13)
InChIKeyVBLINVIOWPSAHA-UHFFFAOYSA-N
XLogP1.12
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine (CID 104762687) is 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine is CCn1ccnc1NCC1(OC)CCOC1.
What is the InChIKey of 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine?
The InChIKey is VBLINVIOWPSAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-14-6-5-12-10(14)13-8-11(15-2)4-7-16-9-11/h5-6H,3-4,7-9H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine?
1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 104762687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).