2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide

C12H23N3O2 — CID 103822190

IUPAC2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
SMILESCNC(=O)CCN(C)C(=O)C1CCCC1CN
InChIInChI=1S/C12H23N3O2/c1-14-11(16)6-7-15(2)12(17)10-5-3-4-9(10)8-13/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyYTQWGZBPOCNPNH-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.04
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide (PubChem CID 103822190) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
PubChem CID103822190
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
SMILESCNC(=O)CCN(C)C(=O)C1CCCC1CN
InChIInChI=1S/C12H23N3O2/c1-14-11(16)6-7-15(2)12(17)10-5-3-4-9(10)8-13/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyYTQWGZBPOCNPNH-UHFFFAOYSA-N
XLogP-0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide (CID 103822190) is 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide is CNC(=O)CCN(C)C(=O)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
The InChIKey is YTQWGZBPOCNPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14-11(16)6-7-15(2)12(17)10-5-3-4-9(10)8-13/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 103822190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).