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

C12H22N2O2 — CID 81168839

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)CC2(CN)CCC2)COC1
InChIInChI=1S/C12H22N2O2/c1-11(8-16-9-11)7-14-10(15)5-12(6-13)3-2-4-12/h2-9,13H2,1H3,(H,14,15)
InChIKeyZPWDBCYVIPKUHM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.66
Rot. Bonds5

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

2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 81168839) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID81168839
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)CC2(CN)CCC2)COC1
InChIInChI=1S/C12H22N2O2/c1-11(8-16-9-11)7-14-10(15)5-12(6-13)3-2-4-12/h2-9,13H2,1H3,(H,14,15)
InChIKeyZPWDBCYVIPKUHM-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81169258
2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107163897
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 104678478
1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
CID 113309913
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
CID 81171912
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 81168839) is 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide is CC1(CNC(=O)CC2(CN)CCC2)COC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is ZPWDBCYVIPKUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(8-16-9-11)7-14-10(15)5-12(6-13)3-2-4-12/h2-9,13H2,1H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.66, 5 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-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 81168839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).