N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine

C14H25NO2 — CID 66350894

IUPACN-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OC2CCOCC2)C12CCCC2
InChIInChI=1S/C14H25NO2/c1-15-12-10-13(14(12)6-2-3-7-14)17-11-4-8-16-9-5-11/h11-13,15H,2-10H2,1H3
InChIKeyQGNBMEBTTPIYHF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds3

About N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine

N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine (PubChem CID 66350894) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine
PubChem CID66350894
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OC2CCOCC2)C12CCCC2
InChIInChI=1S/C14H25NO2/c1-15-12-10-13(14(12)6-2-3-7-14)17-11-4-8-16-9-5-11/h11-13,15H,2-10H2,1H3
InChIKeyQGNBMEBTTPIYHF-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine
CID 114342840
N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine
CID 66357175
2,2-diethyl-N-methyl-3-(oxan-4-yloxy)cyclobutan-1-amine
CID 66350897
3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
CID 66351605
N,2,2-trimethyl-3-(oxolan-3-yloxy)cyclobutan-1-amine
CID 66352903
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
CID 66359603
N-methyl-3-octoxyspiro[3.5]nonan-1-amine
CID 66356621
(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 100627103

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine?
The IUPAC name of N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine (CID 66350894) is N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine?
The canonical SMILES for N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine is CNC1CC(OC2CCOCC2)C12CCCC2.
What is the InChIKey of N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine?
The InChIKey is QGNBMEBTTPIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15-12-10-13(14(12)6-2-3-7-14)17-11-4-8-16-9-5-11/h11-13,15H,2-10H2,1H3.
What are the key properties of N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine?
N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66350894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).