2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide

C15H30N2O2 — CID 65050753

IUPAC2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide
SMILESCCC(CC)(CN)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-3-15(4-2,12-16)19-11-14(18)17-13-9-7-5-6-8-10-13/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyDITRUZRBBSQCAQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.36
Rot. Bonds7

About 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide

2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide (PubChem CID 65050753) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide
PubChem CID65050753
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide
SMILESCCC(CC)(CN)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-3-15(4-2,12-16)19-11-14(18)17-13-9-7-5-6-8-10-13/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyDITRUZRBBSQCAQ-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2-methylpropan-2-yl)oxy-N-cyclopentylacetamide
CID 65053009
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
CID 62010007
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
CID 62548949
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide (CID 65050753) is 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide is CCC(CC)(CN)OCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide?
The InChIKey is DITRUZRBBSQCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-15(4-2,12-16)19-11-14(18)17-13-9-7-5-6-8-10-13/h13H,3-12,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide?
2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide has a molecular weight of 270.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide is sourced from PubChem (CID 65050753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).