N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine

C13H28N2O2 — CID 63741378

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CC1(CN)CCCOC1)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-4-15(12(2)8-16-3)10-13(9-14)6-5-7-17-11-13/h12H,4-11,14H2,1-3H3
InChIKeyDISMBASYKXUJJT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds7

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine (PubChem CID 63741378) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
PubChem CID63741378
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CC1(CN)CCCOC1)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-4-15(12(2)8-16-3)10-13(9-14)6-5-7-17-11-13/h12H,4-11,14H2,1-3H3
InChIKeyDISMBASYKXUJJT-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-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-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine (CID 63741378) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine is CCN(CC1(CN)CCCOC1)C(C)COC.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is DISMBASYKXUJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-15(12(2)8-16-3)10-13(9-14)6-5-7-17-11-13/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 63741378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).