N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine

C17H23NO — CID 79895170

IUPACN-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1ccc(C2CC2NC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C17H23NO/c1-2-5-13(6-3-1)15-11-16(15)18-14-7-10-19-17(12-14)8-4-9-17/h1-3,5-6,14-16,18H,4,7-12H2
InChIKeyVSLSVTVRAMUUSZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.23
Rot. Bonds3

About N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895170) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895170
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1ccc(C2CC2NC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C17H23NO/c1-2-5-13(6-3-1)15-11-16(15)18-14-7-10-19-17(12-14)8-4-9-17/h1-3,5-6,14-16,18H,4,7-12H2
InChIKeyVSLSVTVRAMUUSZ-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 167270259
5-oxaspiro[3.5]nonan-8-yl-(2-phenylcyclopropyl)methanol
CID 115819710
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
N-phenylmethoxy-5-oxaspiro[3.5]nonan-8-amine
CID 79903838
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol
CID 115977837
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79895170) is N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine is c1ccc(C2CC2NC2CCOC3(CCC3)C2)cc1.
What is the InChIKey of N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is VSLSVTVRAMUUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-5-13(6-3-1)15-11-16(15)18-14-7-10-19-17(12-14)8-4-9-17/h1-3,5-6,14-16,18H,4,7-12H2.
What are the key properties of N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 257.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).