N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide

C13H24N2O2 — CID 63870133

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C13H24N2O2/c1-2-3-4-13(16)15-9-10-17-12-7-5-11(14)6-8-12/h2,11-12H,1,3-10,14H2,(H,15,16)
InChIKeyMZJGHULTPJBPRF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide

N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide (PubChem CID 63870133) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide
PubChem CID63870133
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C13H24N2O2/c1-2-3-4-13(16)15-9-10-17-12-7-5-11(14)6-8-12/h2,11-12H,1,3-10,14H2,(H,15,16)
InChIKeyMZJGHULTPJBPRF-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide (CID 63870133) is N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide is C=CCCC(=O)NCCOC1CCC(N)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide?
The InChIKey is MZJGHULTPJBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-4-13(16)15-9-10-17-12-7-5-11(14)6-8-12/h2,11-12H,1,3-10,14H2,(H,15,16).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide?
N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide is sourced from PubChem (CID 63870133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).