3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine

C11H24N2O2 — CID 114524598

IUPAC3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1(CN)CCCOC1
InChIInChI=1S/C11H24N2O2/c1-13(2)6-4-8-15-11(9-12)5-3-7-14-10-11/h3-10,12H2,1-2H3
InChIKeyJJJPVDOYDDPPAC-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds6

About 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine

3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 114524598) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID114524598
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1(CN)CCCOC1
InChIInChI=1S/C11H24N2O2/c1-13(2)6-4-8-15-11(9-12)5-3-7-14-10-11/h3-10,12H2,1-2H3
InChIKeyJJJPVDOYDDPPAC-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-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

Related Compounds

[3-(4-methoxybutoxy)oxan-3-yl]methanamine
CID 104646740
(3-hexoxyoxan-3-yl)methanamine
CID 65051462
2-[4-(aminomethyl)oxan-4-yl]oxy-N,N-dimethylethanamine
CID 65052190
N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991920
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
[1-(3-methoxypropoxy)cyclopentyl]methanamine
CID 62106813
2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide
CID 65051453
[3-[(4-ethylmorpholin-2-yl)methoxy]oxan-3-yl]methanamine
CID 79165722
[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine
CID 79554321
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051716
2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 114524598) is 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine is CN(C)CCCOC1(CN)CCCOC1.
What is the InChIKey of 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is JJJPVDOYDDPPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-13(2)6-4-8-15-11(9-12)5-3-7-14-10-11/h3-10,12H2,1-2H3.
What are the key properties of 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine?
3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114524598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).