[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone

C18H26N2O — CID 62936686

IUPAC[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESNCc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C18H26N2O/c19-14-15-5-4-6-16(13-15)17(21)20-11-9-18(10-12-20)7-2-1-3-8-18/h4-6,13H,1-3,7-12,14,19H2
InChIKeyWTVCEHGNZYTYEJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.33
Rot. Bonds2

About [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone

[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone (PubChem CID 62936686) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
PubChem CID62936686
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESNCc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1
InChIInChI=1S/C18H26N2O/c19-14-15-5-4-6-16(13-15)17(21)20-11-9-18(10-12-20)7-2-1-3-8-18/h4-6,13H,1-3,7-12,14,19H2
InChIKeyWTVCEHGNZYTYEJ-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63157358
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[3-(aminomethyl)phenyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107211774
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[3-(aminomethyl)phenyl]methanone;dihydrochloride
CID 154918447
[3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate
CID 71887940
3-azaspiro[5.5]undecan-3-yl-[4-(bromomethyl)phenyl]methanone
CID 102851630
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone (CID 62936686) is [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone is NCc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is WTVCEHGNZYTYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-14-15-5-4-6-16(13-15)17(21)20-11-9-18(10-12-20)7-2-1-3-8-18/h4-6,13H,1-3,7-12,14,19H2.
What are the key properties of [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone?
[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 62936686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).