2-[2-(cyclohexen-1-yl)ethylamino]propanamide

C11H20N2O — CID 60674339

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESCC(NCCC1=CCCCC1)C(N)=O
InChIInChI=1S/C11H20N2O/c1-9(11(12)14)13-8-7-10-5-3-2-4-6-10/h5,9,13H,2-4,6-8H2,1H3,(H2,12,14)
InChIKeyYRCIYWAXFLYIHF-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.34
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethylamino]propanamide

2-[2-(cyclohexen-1-yl)ethylamino]propanamide (PubChem CID 60674339) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]propanamide
PubChem CID60674339
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESCC(NCCC1=CCCCC1)C(N)=O
InChIInChI=1S/C11H20N2O/c1-9(11(12)14)13-8-7-10-5-3-2-4-6-10/h5,9,13H,2-4,6-8H2,1H3,(H2,12,14)
InChIKeyYRCIYWAXFLYIHF-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]propanamide (CID 60674339) is 2-[2-(cyclohexen-1-yl)ethylamino]propanamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]propanamide is CC(NCCC1=CCCCC1)C(N)=O.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The InChIKey is YRCIYWAXFLYIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(11(12)14)13-8-7-10-5-3-2-4-6-10/h5,9,13H,2-4,6-8H2,1H3,(H2,12,14).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]propanamide?
2-[2-(cyclohexen-1-yl)ethylamino]propanamide has a molecular weight of 196.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]propanamide is sourced from PubChem (CID 60674339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).