4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide

C12H23N3O2 — CID 79207046

IUPAC4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide
SMILESCOCCN(C)CCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H23N3O2/c1-15(7-8-17-2)6-5-14-12(16)10-3-4-11(13)9-10/h3-4,10-11H,5-9,13H2,1-2H3,(H,14,16)
InChIKeyWXSJUZFPOHGITM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.42
Rot. Bonds7

About 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79207046) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide
PubChem CID79207046
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide
SMILESCOCCN(C)CCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H23N3O2/c1-15(7-8-17-2)6-5-14-12(16)10-3-4-11(13)9-10/h3-4,10-11H,5-9,13H2,1-2H3,(H,14,16)
InChIKeyWXSJUZFPOHGITM-UHFFFAOYSA-N
XLogP-0.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide (CID 79207046) is 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide is COCCN(C)CCNC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is WXSJUZFPOHGITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15(7-8-17-2)6-5-14-12(16)10-3-4-11(13)9-10/h3-4,10-11H,5-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).