2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol

C14H27NO2 — CID 80560354

IUPAC2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol
SMILESCCCCCC(C)(O)C1(CN)CC2CCC1O2
InChIInChI=1S/C14H27NO2/c1-3-4-5-8-13(2,16)14(10-15)9-11-6-7-12(14)17-11/h11-12,16H,3-10,15H2,1-2H3
InChIKeyANKXMPORRGVGIZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds6

About 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol

2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol (PubChem CID 80560354) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol
PubChem CID80560354
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol
SMILESCCCCCC(C)(O)C1(CN)CC2CCC1O2
InChIInChI=1S/C14H27NO2/c1-3-4-5-8-13(2,16)14(10-15)9-11-6-7-12(14)17-11/h11-12,16H,3-10,15H2,1-2H3
InChIKeyANKXMPORRGVGIZ-UHFFFAOYSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-ol
CID 79126659
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(4-methoxyphenyl)propan-2-ol
CID 79125867
2-pentyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 65394706
2-decyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 65394082
3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964257
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol
CID 79136018
triacontane-1,1,1-triol
CID 87376487
dodecane-1,1,1-triol
CID 22412604
methyl 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-hydroxyacetate
CID 79124240
1,1-dicyclopropylheptan-1-ol
CID 170160591
2-methyldodecan-2-ol
CID 547702
azane;5,6-dibutylundecane-5,6-diol;hydrate
CID 175455322

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol?
The IUPAC name of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol (CID 80560354) is 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol?
The canonical SMILES for 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol is CCCCCC(C)(O)C1(CN)CC2CCC1O2.
What is the InChIKey of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol?
The InChIKey is ANKXMPORRGVGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-8-13(2,16)14(10-15)9-11-6-7-12(14)17-11/h11-12,16H,3-10,15H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol?
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol is sourced from PubChem (CID 80560354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).