N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine

C15H30N2O2 — CID 107395161

IUPACN-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCCC(C)(OC)C1
InChIInChI=1S/C15H30N2O2/c1-4-16-14-6-9-19-11-13(14)10-17-8-5-7-15(2,12-17)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyDEMALPDCSLCNNG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine

N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine (PubChem CID 107395161) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
PubChem CID107395161
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCCC(C)(OC)C1
InChIInChI=1S/C15H30N2O2/c1-4-16-14-6-9-19-11-13(14)10-17-8-5-7-15(2,12-17)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyDEMALPDCSLCNNG-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-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 N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine (CID 107395161) is N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine is CCNC1CCOCC1CN1CCCC(C)(OC)C1.
What is the InChIKey of N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
The InChIKey is DEMALPDCSLCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-16-14-6-9-19-11-13(14)10-17-8-5-7-15(2,12-17)18-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine?
N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 107395161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).