3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide

C14H28N2O2 — CID 65051854

IUPAC3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOC1(CN)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16-13(17)7-10-18-14(11-15)8-5-3-4-6-9-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyIQXBRJQLOOIHTG-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds6

About 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide

3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide (PubChem CID 65051854) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
PubChem CID65051854
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOC1(CN)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16-13(17)7-10-18-14(11-15)8-5-3-4-6-9-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyIQXBRJQLOOIHTG-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(aminomethyl)cyclohexyl]oxypropanamide
CID 65050712
2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
CID 65051633
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090
[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine
CID 62108129
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
[1-(2-propan-2-ylsulfonylethoxy)cyclopentyl]methanamine
CID 106721576
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
3-[1-(aminomethyl)cyclooctyl]oxybutan-2-ol
CID 103376997
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245
2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
CID 65052011
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide (CID 65051854) is 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOC1(CN)CCCCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide?
The InChIKey is IQXBRJQLOOIHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)16-13(17)7-10-18-14(11-15)8-5-3-4-6-9-14/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide?
3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 65051854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).