2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

C16H23N3O — CID 45074352

IUPAC2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESNc1ccccc1CN1CCCC2(CCNCC2)C1=O
InChIInChI=1S/C16H23N3O/c17-14-5-2-1-4-13(14)12-19-11-3-6-16(15(19)20)7-9-18-10-8-16/h1-2,4-5,18H,3,6-12,17H2
InChIKeyZZWQUGAKCITPLU-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.76
Rot. Bonds2

About 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 45074352) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID45074352
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESNc1ccccc1CN1CCCC2(CCNCC2)C1=O
InChIInChI=1S/C16H23N3O/c17-14-5-2-1-4-13(14)12-19-11-3-6-16(15(19)20)7-9-18-10-8-16/h1-2,4-5,18H,3,6-12,17H2
InChIKeyZZWQUGAKCITPLU-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074320
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 45074112
2-[(3-bromophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074340
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 45074407
2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074394
(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95711606
2-[(1-oxo-2,8-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074383
tert-butyl 2-[(2-aminophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 45074121
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074173
4-[(2-aminophenyl)methyl]piperazine-2,6-dione
CID 66085238
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 45074352) is 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is Nc1ccccc1CN1CCCC2(CCNCC2)C1=O.
What is the InChIKey of 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is ZZWQUGAKCITPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-14-5-2-1-4-13(14)12-19-11-3-6-16(15(19)20)7-9-18-10-8-16/h1-2,4-5,18H,3,6-12,17H2.
What are the key properties of 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 45074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).