5-(2-phenylethyl)-5-azaspiro[2.4]heptane

C14H19N — CID 142337171

IUPAC5-(2-phenylethyl)-5-azaspiro[2.4]heptane
SMILESc1ccc(CCN2CCC3(CC3)C2)cc1
InChIInChI=1S/C14H19N/c1-2-4-13(5-3-1)6-10-15-11-9-14(12-15)7-8-14/h1-5H,6-12H2
InChIKeyKQWHYNQMMBQZJM-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.71
Rot. Bonds3

About 5-(2-phenylethyl)-5-azaspiro[2.4]heptane

5-(2-phenylethyl)-5-azaspiro[2.4]heptane (PubChem CID 142337171) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-(2-phenylethyl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-(2-phenylethyl)-5-azaspiro[2.4]heptane
PubChem CID142337171
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-(2-phenylethyl)-5-azaspiro[2.4]heptane
SMILESc1ccc(CCN2CCC3(CC3)C2)cc1
InChIInChI=1S/C14H19N/c1-2-4-13(5-3-1)6-10-15-11-9-14(12-15)7-8-14/h1-5H,6-12H2
InChIKeyKQWHYNQMMBQZJM-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
CID 97397493
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
(3R)-3-(methoxymethyl)-2-methyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane
CID 97475640
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
CID 71377991
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
CID 42404410
4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine
CID 56895668

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-5-azaspiro[2.4]heptane?
The IUPAC name of 5-(2-phenylethyl)-5-azaspiro[2.4]heptane (CID 142337171) is 5-(2-phenylethyl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-(2-phenylethyl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-(2-phenylethyl)-5-azaspiro[2.4]heptane is c1ccc(CCN2CCC3(CC3)C2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-5-azaspiro[2.4]heptane?
The InChIKey is KQWHYNQMMBQZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-4-13(5-3-1)6-10-15-11-9-14(12-15)7-8-14/h1-5H,6-12H2.
What are the key properties of 5-(2-phenylethyl)-5-azaspiro[2.4]heptane?
5-(2-phenylethyl)-5-azaspiro[2.4]heptane has a molecular weight of 201.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 142337171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).