2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide

C12H24N2O2 — CID 65050536

IUPAC2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide
SMILESCCCNC(=O)C(C)OC1(CN)CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-8-14-11(15)10(2)16-12(9-13)6-4-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyOHLJXEBMEQTYGT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds6

About 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide

2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide (PubChem CID 65050536) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide
PubChem CID65050536
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide
SMILESCCCNC(=O)C(C)OC1(CN)CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-8-14-11(15)10(2)16-12(9-13)6-4-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyOHLJXEBMEQTYGT-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide (CID 65050536) is 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide is CCCNC(=O)C(C)OC1(CN)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide?
The InChIKey is OHLJXEBMEQTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8-14-11(15)10(2)16-12(9-13)6-4-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide?
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]oxy-N-propylpropanamide is sourced from PubChem (CID 65050536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).