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

C14H25NO — CID 103724691

IUPAC[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CC2CC3CCC2C3)CCCOC1
InChIInChI=1S/C14H25NO/c15-9-14(4-1-5-16-10-14)8-13-7-11-2-3-12(13)6-11/h11-13H,1-10,15H2
InChIKeyRDHKZGLRJJQDEE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds3

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

[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine (PubChem CID 103724691) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
PubChem CID103724691
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CC2CC3CCC2C3)CCCOC1
InChIInChI=1S/C14H25NO/c15-9-14(4-1-5-16-10-14)8-13-7-11-2-3-12(13)6-11/h11-13H,1-10,15H2
InChIKeyRDHKZGLRJJQDEE-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine with MolForge

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine
CID 79554321
[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
CID 79550992
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
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
CID 79550198
[3-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 113289949
3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid
CID 79557907
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
CID 63740897
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 79562303

Frequently Asked Questions

What is the IUPAC name of [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine (CID 103724691) is [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine is NCC1(CC2CC3CCC2C3)CCCOC1.
What is the InChIKey of [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine?
The InChIKey is RDHKZGLRJJQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-9-14(4-1-5-16-10-14)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]heptanylmethyl)oxan-3-yl]methanamine?
[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 103724691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).