6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine

C15H22N2 — CID 59203708

IUPAC6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine
SMILESC[C@@H](c1ccccc1)N1CC(N)C2(CCC2)C1
InChIInChI=1S/C15H22N2/c1-12(13-6-3-2-4-7-13)17-10-14(16)15(11-17)8-5-9-15/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14?/m0/s1
InChIKeyRUZDOUCRGPTJBM-NBFOIZRFSA-N
MW230.36 g/mol
LogP2.56
Rot. Bonds2

About 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine

6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine (PubChem CID 59203708) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine.

Molecular Properties

Compound Name6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine
PubChem CID59203708
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine
SMILESC[C@@H](c1ccccc1)N1CC(N)C2(CCC2)C1
InChIInChI=1S/C15H22N2/c1-12(13-6-3-2-4-7-13)17-10-14(16)15(11-17)8-5-9-15/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14?/m0/s1
InChIKeyRUZDOUCRGPTJBM-NBFOIZRFSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl] acetate
CID 22417117
(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane
CID 163632981
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
(3aS,6aR)-2-(1-phenylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680201
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 117012449
(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68945895
3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 155454979
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine?
The IUPAC name of 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine (CID 59203708) is 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine.
What is the SMILES notation for 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine?
The canonical SMILES for 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine is C[C@@H](c1ccccc1)N1CC(N)C2(CCC2)C1.
What is the InChIKey of 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine?
The InChIKey is RUZDOUCRGPTJBM-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(13-6-3-2-4-7-13)17-10-14(16)15(11-17)8-5-9-15/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14?/m0/s1.
What are the key properties of 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine?
6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine has a molecular weight of 230.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine is sourced from PubChem (CID 59203708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).