1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine

C7H13NO — CID 138040399

IUPAC1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine
SMILESCC12CCC(N)(CO1)C2
InChIInChI=1S/C7H13NO/c1-6-2-3-7(8,4-6)5-9-6/h2-5,8H2,1H3
InChIKeyOIQYPAWFNAOGKM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds

About 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine

1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine (PubChem CID 138040399) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine.

Molecular Properties

Compound Name1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine
PubChem CID138040399
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine
SMILESCC12CCC(N)(CO1)C2
InChIInChI=1S/C7H13NO/c1-6-2-3-7(8,4-6)5-9-6/h2-5,8H2,1H3
InChIKeyOIQYPAWFNAOGKM-UHFFFAOYSA-N
XLogP0.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
CID 154853019
sodium 1-methyl-2-oxabicyclo[2.2.1]heptane-4-carboxylate
CID 146050196
1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
CID 123911016
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
CID 154856939
1-ethyl-4-methyl-2,5-dioxabicyclo[2.2.2]octane
CID 102179399
1-methyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 134166265
N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
CID 152983655
1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
CID 155978197
4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
CID 138991430
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 86010396
4-iodobicyclo[2.2.2]octan-1-amine
CID 86014212
1,2-dimethylcyclopropane-1,2-diamine;dihydrobromide
CID 90120336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine?
The IUPAC name of 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine (CID 138040399) is 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine.
What is the SMILES notation for 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine?
The canonical SMILES for 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine is CC12CCC(N)(CO1)C2.
What is the InChIKey of 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine?
The InChIKey is OIQYPAWFNAOGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-3-7(8,4-6)5-9-6/h2-5,8H2,1H3.
What are the key properties of 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine?
1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine has a molecular weight of 127.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine is sourced from PubChem (CID 138040399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).