2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide

C15H30N2O2 — CID 65051633

IUPAC2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COC1(CN)CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(2)13(3)17-14(18)10-19-15(11-16)8-6-4-5-7-9-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyCPFPVJPQORJTTH-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.22
Rot. Bonds6

About 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide

2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide (PubChem CID 65051633) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
PubChem CID65051633
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COC1(CN)CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(2)13(3)17-14(18)10-19-15(11-16)8-6-4-5-7-9-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyCPFPVJPQORJTTH-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090
3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
CID 65051854
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclopentyl]oxy-N-cycloheptylacetamide
CID 65050926
2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
CID 65052011
2-[1-(aminomethyl)cyclopentyl]oxy-N-methyl-N-propan-2-ylacetamide
CID 65051036
2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide
CID 65051099
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
CID 65051205
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
CID 65052321

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide (CID 65051633) is 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COC1(CN)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is CPFPVJPQORJTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)13(3)17-14(18)10-19-15(11-16)8-6-4-5-7-9-15/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide?
2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 270.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 65051633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).