N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

C16H28N4O2 — CID 99844458

IUPACN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCCOC1CC(CNCc2ccnn2C)(N2CCOCC2)C1
InChIInChI=1S/C16H28N4O2/c1-3-22-15-10-16(11-15,20-6-8-21-9-7-20)13-17-12-14-4-5-18-19(14)2/h4-5,15,17H,3,6-13H2,1-2H3
InChIKeyXPXXDSDFHOPEAD-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.78
Rot. Bonds7

About N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 99844458) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID99844458
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCCOC1CC(CNCc2ccnn2C)(N2CCOCC2)C1
InChIInChI=1S/C16H28N4O2/c1-3-22-15-10-16(11-15,20-6-8-21-9-7-20)13-17-12-14-4-5-18-19(14)2/h4-5,15,17H,3,6-13H2,1-2H3
InChIKeyXPXXDSDFHOPEAD-UHFFFAOYSA-N
XLogP0.78
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine 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 N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 99844458) is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is CCOC1CC(CNCc2ccnn2C)(N2CCOCC2)C1.
What is the InChIKey of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is XPXXDSDFHOPEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-22-15-10-16(11-15,20-6-8-21-9-7-20)13-17-12-14-4-5-18-19(14)2/h4-5,15,17H,3,6-13H2,1-2H3.
What are the key properties of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 308.43 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 99844458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).