2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone

C18H32N2O — CID 104678183

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
SMILESNCC1(CC(=O)N2CCC3(CCCC3)CC2)CCCCC1
InChIInChI=1S/C18H32N2O/c19-15-18(8-2-1-3-9-18)14-16(21)20-12-10-17(11-13-20)6-4-5-7-17/h1-15,19H2
InChIKeyJLBAHQLNUNZVKA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.47
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 104678183) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID104678183
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
SMILESNCC1(CC(=O)N2CCC3(CCCC3)CC2)CCCCC1
InChIInChI=1S/C18H32N2O/c19-15-18(8-2-1-3-9-18)14-16(21)20-12-10-17(11-13-20)6-4-5-7-17/h1-15,19H2
InChIKeyJLBAHQLNUNZVKA-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperazine-1-sulfonamide
CID 104677903
2-[1-(aminomethyl)cyclohexyl]-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 104844472
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
CID 81172470
2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211
2-[1-(aminomethyl)cyclohexyl]-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 103533215
2-[1-(aminomethyl)cyclohexyl]-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 104678657
2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
CID 81169643

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone (CID 104678183) is 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone is NCC1(CC(=O)N2CCC3(CCCC3)CC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is JLBAHQLNUNZVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c19-15-18(8-2-1-3-9-18)14-16(21)20-12-10-17(11-13-20)6-4-5-7-17/h1-15,19H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 292.47 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 104678183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).