[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine

C14H25NO2 — CID 79554321

IUPAC[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine
SMILESNCC1(OCC2CC3CCC2C3)CCCOC1
InChIInChI=1S/C14H25NO2/c15-9-14(4-1-5-16-10-14)17-8-13-7-11-2-3-12(13)6-11/h11-13H,1-10,15H2
InChIKeyCGAOVWSUGLRNND-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.95
Rot. Bonds4

About [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine

[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine (PubChem CID 79554321) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine
PubChem CID79554321
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine
SMILESNCC1(OCC2CC3CCC2C3)CCCOC1
InChIInChI=1S/C14H25NO2/c15-9-14(4-1-5-16-10-14)17-8-13-7-11-2-3-12(13)6-11/h11-13H,1-10,15H2
InChIKeyCGAOVWSUGLRNND-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
CID 103724691
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
[3-[(4-ethylmorpholin-2-yl)methoxy]oxan-3-yl]methanamine
CID 79165722
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
(3-hexoxyoxan-3-yl)methanamine
CID 65051462
3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 114524598
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
O-(2-bicyclo[2.2.1]heptanylmethyl)hydroxylamine;hydrochloride
CID 67132086
[3-(3-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051664
[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63746094
1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116600831

Frequently Asked Questions

What is the IUPAC name of [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine?
The IUPAC name of [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine (CID 79554321) is [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine?
The canonical SMILES for [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine is NCC1(OCC2CC3CCC2C3)CCCOC1.
What is the InChIKey of [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine?
The InChIKey is CGAOVWSUGLRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-9-14(4-1-5-16-10-14)17-8-13-7-11-2-3-12(13)6-11/h11-13H,1-10,15H2.
What are the key properties of [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine?
[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine is sourced from PubChem (CID 79554321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).