[6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone

C17H24N2O2 — CID 164584897

IUPAC[6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)N2CC3(CC3)CC2CN)c(C)cc1C
InChIInChI=1S/C17H24N2O2/c1-11-6-12(2)15(21-3)7-14(11)16(20)19-10-17(4-5-17)8-13(19)9-18/h6-7,13H,4-5,8-10,18H2,1-3H3
InChIKeyZDEKQNPOBQHPBR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds3

About [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone

[6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone (PubChem CID 164584897) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone
PubChem CID164584897
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)N2CC3(CC3)CC2CN)c(C)cc1C
InChIInChI=1S/C17H24N2O2/c1-11-6-12(2)15(21-3)7-14(11)16(20)19-10-17(4-5-17)8-13(19)9-18/h6-7,13H,4-5,8-10,18H2,1-3H3
InChIKeyZDEKQNPOBQHPBR-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-4-[3-[5-amino-4-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carbonyl]-2-methoxyphenoxy]propoxy]-5-methoxyphenyl]-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptan-5-yl]methanone
CID 142550769
(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone
CID 162211131
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
2,5-dimethoxy-4-methylbenzamide
CID 82491295
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
[4-(hydroxymethyl)-2-methoxyphenyl]-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]methanone
CID 138012575
(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde
CID 162211130
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572
(2S)-2-amino-N-[1-[[6-[[2-amino-6-hydroxy-3-[6-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carbonyl]-5-methoxyphenyl]-hydroxymethyl]-3-pyridinyl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 138512593
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009
[2-amino-4-[[5-amino-4-[(2R)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]methoxy]-5-methoxyphenyl]-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]methanone
CID 89327989
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
CID 146329900

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone?
The IUPAC name of [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone (CID 164584897) is [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone.
What is the SMILES notation for [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone?
The canonical SMILES for [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone is COc1cc(C(=O)N2CC3(CC3)CC2CN)c(C)cc1C.
What is the InChIKey of [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone?
The InChIKey is ZDEKQNPOBQHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-6-12(2)15(21-3)7-14(11)16(20)19-10-17(4-5-17)8-13(19)9-18/h6-7,13H,4-5,8-10,18H2,1-3H3.
What are the key properties of [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone?
[6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-5-azaspiro[2.4]heptan-5-yl]-(5-methoxy-2,4-dimethylphenyl)methanone is sourced from PubChem (CID 164584897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).