2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide

C16H31N3O — CID 104677930

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
SMILESCCN1CCCC(NC(=O)CC2(CN)CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-2-19-10-6-7-14(12-19)18-15(20)11-16(13-17)8-4-3-5-9-16/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyFQSDUEDMNGLNFS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.89
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide (PubChem CID 104677930) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
PubChem CID104677930
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
SMILESCCN1CCCC(NC(=O)CC2(CN)CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-2-19-10-6-7-14(12-19)18-15(20)11-16(13-17)8-4-3-5-9-16/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyFQSDUEDMNGLNFS-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 104677721
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 81179908
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785
6-amino-N-(1-ethylpiperidin-3-yl)-4,4-dimethylhexanamide
CID 65292402
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414
N-(1-ethylpiperidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921404

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide (CID 104677930) is 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide is CCN1CCCC(NC(=O)CC2(CN)CCCCC2)C1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide?
The InChIKey is FQSDUEDMNGLNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-19-10-6-7-14(12-19)18-15(20)11-16(13-17)8-4-3-5-9-16/h14H,2-13,17H2,1H3,(H,18,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide is sourced from PubChem (CID 104677930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).