3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine

C16H29N3O2 — CID 162663477

IUPAC3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine
SMILESCO[C@]1(C)OCC(C)(C)C[C@@H]1CNCCCn1ccnc1
InChIInChI=1S/C16H29N3O2/c1-15(2)10-14(16(3,20-4)21-12-15)11-17-6-5-8-19-9-7-18-13-19/h7,9,13-14,17H,5-6,8,10-12H2,1-4H3/t14-,16-/m1/s1
InChIKeyMIKMXOCIVOPOJS-GDBMZVCRSA-N
MW295.43 g/mol
LogP2.29
Rot. Bonds7

About 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine

3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine (PubChem CID 162663477) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine
PubChem CID162663477
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine
SMILESCO[C@]1(C)OCC(C)(C)C[C@@H]1CNCCCn1ccnc1
InChIInChI=1S/C16H29N3O2/c1-15(2)10-14(16(3,20-4)21-12-15)11-17-6-5-8-19-9-7-18-13-19/h7,9,13-14,17H,5-6,8,10-12H2,1-4H3/t14-,16-/m1/s1
InChIKeyMIKMXOCIVOPOJS-GDBMZVCRSA-N
XLogP2.29
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-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 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine (CID 162663477) is 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine is CO[C@]1(C)OCC(C)(C)C[C@@H]1CNCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine?
The InChIKey is MIKMXOCIVOPOJS-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-15(2)10-14(16(3,20-4)21-12-15)11-17-6-5-8-19-9-7-18-13-19/h7,9,13-14,17H,5-6,8,10-12H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine?
3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[[(2R,3R)-2-methoxy-2,5,5-trimethyloxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 162663477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).