N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

C15H26N2O — CID 51078146

IUPACN-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CC=CCC1
InChIInChI=1S/C15H26N2O/c18-15(14-8-4-3-5-9-14)16-10-13-17-11-6-1-2-7-12-17/h3-4,14H,1-2,5-13H2,(H,16,18)
InChIKeyWSXJVAFRBICBPK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 51078146) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID51078146
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CC=CCC1
InChIInChI=1S/C15H26N2O/c18-15(14-8-4-3-5-9-14)16-10-13-17-11-6-1-2-7-12-17/h3-4,14H,1-2,5-13H2,(H,16,18)
InChIKeyWSXJVAFRBICBPK-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
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 N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 51078146) is N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCN1CCCCCC1)C1CC=CCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WSXJVAFRBICBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(14-8-4-3-5-9-14)16-10-13-17-11-6-1-2-7-12-17/h3-4,14H,1-2,5-13H2,(H,16,18).
What are the key properties of N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51078146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).