2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine

C12H21N3O — CID 64547429

IUPAC2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(NCc2ncc[nH]2)CCO1
InChIInChI=1S/C12H21N3O/c1-3-12(2)8-10(4-7-16-12)15-9-11-13-5-6-14-11/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeySHLMEXQTQSHJLF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.85
Rot. Bonds4

About 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine

2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine (PubChem CID 64547429) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine
PubChem CID64547429
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(NCc2ncc[nH]2)CCO1
InChIInChI=1S/C12H21N3O/c1-3-12(2)8-10(4-7-16-12)15-9-11-13-5-6-14-11/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeySHLMEXQTQSHJLF-UHFFFAOYSA-N
XLogP1.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine?
The IUPAC name of 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine (CID 64547429) is 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine.
What is the SMILES notation for 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine?
The canonical SMILES for 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine is CCC1(C)CC(NCc2ncc[nH]2)CCO1.
What is the InChIKey of 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine?
The InChIKey is SHLMEXQTQSHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-12(2)8-10(4-7-16-12)15-9-11-13-5-6-14-11/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine?
2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine is sourced from PubChem (CID 64547429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).