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

C15H26N2O2 — CID 63869967

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H26N2O2/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-2,12-14H,3-11,16H2,(H,17,18)
InChIKeyCFTXXRIQAXBRKC-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.75
Rot. Bonds5

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

N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 63869967) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide
PubChem CID63869967
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H26N2O2/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-2,12-14H,3-11,16H2,(H,17,18)
InChIKeyCFTXXRIQAXBRKC-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.75
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]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide (CID 63869967) is N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide is NC1CCC(OCCNC(=O)C2CC=CCC2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is CFTXXRIQAXBRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-2,12-14H,3-11,16H2,(H,17,18).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.75, 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]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 63869967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).