N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine

C18H34N2O — CID 63682561

IUPACN-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)CC2CC3CCC2C3)CCOCC1
InChIInChI=1S/C18H34N2O/c1-3-19-13-18(6-8-21-9-7-18)14-20(2)12-17-11-15-4-5-16(17)10-15/h15-17,19H,3-14H2,1-2H3
InChIKeyAUXNSVCWGPCIAX-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.76
Rot. Bonds7

About N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 63682561) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
PubChem CID63682561
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)CC2CC3CCC2C3)CCOCC1
InChIInChI=1S/C18H34N2O/c1-3-19-13-18(6-8-21-9-7-18)14-20(2)12-17-11-15-4-5-16(17)10-15/h15-17,19H,3-14H2,1-2H3
InChIKeyAUXNSVCWGPCIAX-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63684055
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62862435
[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
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62391503
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
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine (CID 63682561) is N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN(C)CC2CC3CCC2C3)CCOCC1.
What is the InChIKey of N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is AUXNSVCWGPCIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-19-13-18(6-8-21-9-7-18)14-20(2)12-17-11-15-4-5-16(17)10-15/h15-17,19H,3-14H2,1-2H3.
What are the key properties of N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 294.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 63682561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).