N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H26N2O2 — CID 63871287

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C16H26N2O2/c17-13-3-5-14(6-4-13)20-8-7-18-16(19)15-10-11-1-2-12(15)9-11/h1-2,11-15H,3-10,17H2,(H,18,19)
InChIKeyLGLGGRVEANFKHW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 63871287) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID63871287
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C16H26N2O2/c17-13-3-5-14(6-4-13)20-8-7-18-16(19)15-10-11-1-2-12(15)9-11/h1-2,11-15H,3-10,17H2,(H,18,19)
InChIKeyLGLGGRVEANFKHW-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.60
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]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 63871287) is N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is NC1CCC(OCCNC(=O)C2CC3C=CC2C3)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is LGLGGRVEANFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-13-3-5-14(6-4-13)20-8-7-18-16(19)15-10-11-1-2-12(15)9-11/h1-2,11-15H,3-10,17H2,(H,18,19).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.60, 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]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 63871287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).