N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide

C14H24N2O2 — CID 64767381

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H24N2O2/c15-12-5-7-13(8-6-12)18-10-9-16-14(17)11-3-1-2-4-11/h1-2,11-13H,3-10,15H2,(H,16,17)
InChIKeyHQLMSLVSBPKUDU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide

N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide (PubChem CID 64767381) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide
PubChem CID64767381
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H24N2O2/c15-12-5-7-13(8-6-12)18-10-9-16-14(17)11-3-1-2-4-11/h1-2,11-13H,3-10,15H2,(H,16,17)
InChIKeyHQLMSLVSBPKUDU-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
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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Related Compounds

2-Oxa-11-azabicyclo[10.4.0]hexadec-6-ene-3,10-dione
CID 6613000
N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 42919634
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohex-3-ene-1-carboxamide
CID 63869469
N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide
CID 63869471
N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide
CID 63869967
N-[2-(4-aminocyclohexyl)oxyethyl]-2-cyclopent-2-en-1-ylacetamide
CID 63869968
N-[2-(4-aminocyclohexyl)oxyethyl]pent-4-enamide
CID 63870133
2-[2-(4-Aminocyclohexyl)oxyethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 63870877
N-[2-(4-aminocyclohexyl)oxyethyl]but-3-enamide
CID 63870972
N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 63871287
N-(4-hydroxycyclohexyl)cyclopent-3-ene-1-carboxamide
CID 64766923
N-[3-(4-aminocyclohexyl)oxypropyl]cyclopent-3-ene-1-carboxamide
CID 64767467

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide (CID 64767381) is N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide is NC1CCC(OCCNC(=O)C2CC=CC2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is HQLMSLVSBPKUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-12-5-7-13(8-6-12)18-10-9-16-14(17)11-3-1-2-4-11/h1-2,11-13H,3-10,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.36, 5 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]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).