[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone

C17H24N2O — CID 119335964

IUPAC[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
SMILESNCc1ccc(C(=O)N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24N2O/c18-12-14-4-6-15(7-5-14)16(20)19-11-10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-13,18H2
InChIKeyHNDWLKZOIAPGJP-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.94
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone

[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone (PubChem CID 119335964) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
PubChem CID119335964
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
SMILESNCc1ccc(C(=O)N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24N2O/c18-12-14-4-6-15(7-5-14)16(20)19-11-10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-13,18H2
InChIKeyHNDWLKZOIAPGJP-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936686
3-azaspiro[5.5]undecan-3-yl-[4-(bromomethyl)phenyl]methanone
CID 102851630
8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
CID 63158833
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403497
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744424
[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119328217
[4-(aminomethyl)phenyl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119337424
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732622
2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
CID 119805305
[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 119899839
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone (CID 119335964) is [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone is NCc1ccc(C(=O)N2CCC3(CCCCC3)C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone?
The InChIKey is HNDWLKZOIAPGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-12-14-4-6-15(7-5-14)16(20)19-11-10-17(13-19)8-2-1-3-9-17/h4-7H,1-3,8-13,18H2.
What are the key properties of [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone?
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 119335964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).