7-oxabicyclo[2.2.1]heptan-1-ylmethanamine

C7H13NO — CID 125458515

IUPAC7-oxabicyclo[2.2.1]heptan-1-ylmethanamine
SMILESNCC12CCC(CC1)O2
InChIInChI=1S/C7H13NO/c8-5-7-3-1-6(9-7)2-4-7/h6H,1-5,8H2
InChIKeyUHVAPMHYHSSGOJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds1

About 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine

7-oxabicyclo[2.2.1]heptan-1-ylmethanamine (PubChem CID 125458515) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-1-ylmethanamine
PubChem CID125458515
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name7-oxabicyclo[2.2.1]heptan-1-ylmethanamine
SMILESNCC12CCC(CC1)O2
InChIInChI=1S/C7H13NO/c8-5-7-3-1-6(9-7)2-4-7/h6H,1-5,8H2
InChIKeyUHVAPMHYHSSGOJ-UHFFFAOYSA-N
XLogP0.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one
CID 11869144
1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one;oxalic acid
CID 2755173
7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol
CID 57304938
1-propyl-5-oxabicyclo[2.1.1]hexane
CID 163865602
ethane;1-methyl-7-oxabicyclo[2.2.1]heptane
CID 142533479
6-oxabicyclo[3.2.1]octan-1-ylmethanamine
CID 138040688
7-oxabicyclo[2.2.1]heptan-1-ylmethyl 7-oxabicyclo[4.1.0]heptane-1-carboxylate
CID 150848181
1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
CID 176544735
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
2,4-dioxabicyclo[1.1.0]butan-1-ylmethanamine
CID 57006097
tert-butyl-[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 67128784

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine (CID 125458515) is 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine is NCC12CCC(CC1)O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine?
The InChIKey is UHVAPMHYHSSGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-5-7-3-1-6(9-7)2-4-7/h6H,1-5,8H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine?
7-oxabicyclo[2.2.1]heptan-1-ylmethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-1-ylmethanamine is sourced from PubChem (CID 125458515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).