2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide

C14H27N3O — CID 81179908

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
SMILESCCN1CCC(CNC(=O)CC2(CN)CCC2)C1
InChIInChI=1S/C14H27N3O/c1-2-17-7-4-12(10-17)9-16-13(18)8-14(11-15)5-3-6-14/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyLBADTYIWBWEFKB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.96
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 81179908) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
PubChem CID81179908
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
SMILESCCN1CCC(CNC(=O)CC2(CN)CCC2)C1
InChIInChI=1S/C14H27N3O/c1-2-17-7-4-12(10-17)9-16-13(18)8-14(11-15)5-3-6-14/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyLBADTYIWBWEFKB-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111537146
2-[1-(aminomethyl)cyclohexyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 104677736
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide
CID 81179607
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 81172973
[1-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 81418798
2-[1-(aminomethyl)cyclobutyl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 81169138
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide (CID 81179908) is 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide is CCN1CCC(CNC(=O)CC2(CN)CCC2)C1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is LBADTYIWBWEFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-17-7-4-12(10-17)9-16-13(18)8-14(11-15)5-3-6-14/h12H,2-11,15H2,1H3,(H,16,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 81179908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).