2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide

C12H22N2O2 — CID 65050646

IUPAC2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COC1(CN)CCCC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-14(10-4-5-10)11(15)8-16-12(9-13)6-2-3-7-12/h10H,2-9,13H2,1H3
InChIKeyXXDNDEAWZSNWKT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.90
Rot. Bonds5

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

2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide (PubChem CID 65050646) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide
PubChem CID65050646
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COC1(CN)CCCC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-14(10-4-5-10)11(15)8-16-12(9-13)6-2-3-7-12/h10H,2-9,13H2,1H3
InChIKeyXXDNDEAWZSNWKT-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide (CID 65050646) is 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide is CN(C(=O)COC1(CN)CCCC1)C1CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide?
The InChIKey is XXDNDEAWZSNWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(10-4-5-10)11(15)8-16-12(9-13)6-2-3-7-12/h10H,2-9,13H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide?
2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]oxy-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 65050646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).