N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine

C17H32N2O — CID 63684055

IUPACN-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)CC2CC3CCC2C3)CCOC1
InChIInChI=1S/C17H32N2O/c1-3-18-11-17(6-7-20-13-17)12-19(2)10-16-9-14-4-5-15(16)8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyWIOQXIGXBVZYEL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.37
Rot. Bonds7

About N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 63684055) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID63684055
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)CC2CC3CCC2C3)CCOC1
InChIInChI=1S/C17H32N2O/c1-3-18-11-17(6-7-20-13-17)12-19(2)10-16-9-14-4-5-15(16)8-14/h14-16,18H,3-13H2,1-2H3
InChIKeyWIOQXIGXBVZYEL-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine 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

N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 63682561
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63746094
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62862435
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82743846
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
1-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 63682237

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine (CID 63684055) is N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN(C)CC2CC3CCC2C3)CCOC1.
What is the InChIKey of N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is WIOQXIGXBVZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-18-11-17(6-7-20-13-17)12-19(2)10-16-9-14-4-5-15(16)8-14/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 280.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63684055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).