N-methyl-4-oxaspiro[2.4]heptan-7-amine

C7H13NO — CID 163853502

IUPACN-methyl-4-oxaspiro[2.4]heptan-7-amine
SMILESCNC1CCOC12CC2
InChIInChI=1S/C7H13NO/c1-8-6-2-5-9-7(6)3-4-7/h6,8H,2-5H2,1H3
InChIKeyOWJBJLHYSBAWLA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds1

About N-methyl-4-oxaspiro[2.4]heptan-7-amine

N-methyl-4-oxaspiro[2.4]heptan-7-amine (PubChem CID 163853502) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-4-oxaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound NameN-methyl-4-oxaspiro[2.4]heptan-7-amine
PubChem CID163853502
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-4-oxaspiro[2.4]heptan-7-amine
SMILESCNC1CCOC12CC2
InChIInChI=1S/C7H13NO/c1-8-6-2-5-9-7(6)3-4-7/h6,8H,2-5H2,1H3
InChIKeyOWJBJLHYSBAWLA-UHFFFAOYSA-N
XLogP0.53
TPSA21.26 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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxaspiro[2.4]heptan-7-ylhydrazine
CID 170121908
N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine
CID 167800893
[(3S)-2,2-dimethyloxolan-3-yl]hydrazine
CID 125181041
4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 175831556
[(5S)-1-oxaspiro[4.4]nonan-9-yl]hydrazine
CID 170965638
N-(1-oxa-8-azaspiro[4.5]decan-4-yl)cyclobutanecarboxamide
CID 165477298
8-propan-2-yl-4-oxaspiro[2.5]octane
CID 176797220
8-methyl-1-oxaspiro[4.5]decan-4-ol
CID 165460005
2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine
CID 130702884
(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine
CID 125482649
(8S)-4-oxaspiro[2.5]octan-8-amine
CID 162523670
N-methylspiro[3.5]nonan-3-amine
CID 102951104

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxaspiro[2.4]heptan-7-amine?
The IUPAC name of N-methyl-4-oxaspiro[2.4]heptan-7-amine (CID 163853502) is N-methyl-4-oxaspiro[2.4]heptan-7-amine.
What is the SMILES notation for N-methyl-4-oxaspiro[2.4]heptan-7-amine?
The canonical SMILES for N-methyl-4-oxaspiro[2.4]heptan-7-amine is CNC1CCOC12CC2.
What is the InChIKey of N-methyl-4-oxaspiro[2.4]heptan-7-amine?
The InChIKey is OWJBJLHYSBAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-2-5-9-7(6)3-4-7/h6,8H,2-5H2,1H3.
What are the key properties of N-methyl-4-oxaspiro[2.4]heptan-7-amine?
N-methyl-4-oxaspiro[2.4]heptan-7-amine has a molecular weight of 127.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 163853502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).