[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone

C18H27N3O — CID 119899839

IUPAC[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(CN)cc2)C2(CCCCC2)C1
InChIInChI=1S/C18H27N3O/c1-20-11-12-21(18(14-20)9-3-2-4-10-18)17(22)16-7-5-15(13-19)6-8-16/h5-8H,2-4,9-14,19H2,1H3
InChIKeyYGBXOEGQVGMUGW-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.24
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone

[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone (PubChem CID 119899839) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
PubChem CID119899839
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(CN)cc2)C2(CCCCC2)C1
InChIInChI=1S/C18H27N3O/c1-20-11-12-21(18(14-20)9-3-2-4-10-18)17(22)16-7-5-15(13-19)6-8-16/h5-8H,2-4,9-14,19H2,1H3
InChIKeyYGBXOEGQVGMUGW-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
CID 119899862
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403497
[4-(aminomethyl)phenyl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119337424
N-ethyl-9-methyl-6,9-diazaspiro[4.5]decane-6-carboxamide
CID 71801371
1-[6-[4-(aminomethyl)phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
CID 155770188
4-(1-azaspiro[3.3]heptane-1-carbonyl)benzoic acid
CID 119186646
(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 125167077
4-(methylamino)-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
CID 119899820
[4-(aminomethyl)phenyl]-(2,2-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119328217
2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone (CID 119899839) is [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone is CN1CCN(C(=O)c2ccc(CN)cc2)C2(CCCCC2)C1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone?
The InChIKey is YGBXOEGQVGMUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-11-12-21(18(14-20)9-3-2-4-10-18)17(22)16-7-5-15(13-19)6-8-16/h5-8H,2-4,9-14,19H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone?
[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone is sourced from PubChem (CID 119899839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).