3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine

C16H29NO — CID 114249127

IUPAC3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCC2CCCCCC2)C12CCCC2
InChIInChI=1S/C16H29NO/c17-14-11-15(16(14)9-5-6-10-16)18-12-13-7-3-1-2-4-8-13/h13-15H,1-12,17H2
InChIKeyOCFNOHJGOBDBTI-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.63
Rot. Bonds3

About 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine

3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine (PubChem CID 114249127) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
PubChem CID114249127
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCC2CCCCCC2)C12CCCC2
InChIInChI=1S/C16H29NO/c17-14-11-15(16(14)9-5-6-10-16)18-12-13-7-3-1-2-4-8-13/h13-15H,1-12,17H2
InChIKeyOCFNOHJGOBDBTI-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 114249124
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357564
4-[(3-bromospiro[3.5]nonan-1-yl)oxymethyl]oxane
CID 66343511
3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82794539
3-methoxyspiro[3.4]octan-1-amine
CID 66357973
3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
CID 103408106
1-(cyclohexylmethoxy)spiro[3.4]octan-3-one
CID 66368904
3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine
CID 66357190
3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
CID 66358588
3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351552

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine (CID 114249127) is 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine is NC1CC(OCC2CCCCCC2)C12CCCC2.
What is the InChIKey of 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine?
The InChIKey is OCFNOHJGOBDBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c17-14-11-15(16(14)9-5-6-10-16)18-12-13-7-3-1-2-4-8-13/h13-15H,1-12,17H2.
What are the key properties of 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine?
3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 114249127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).