N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide

C17H30N2O2 — CID 91659675

IUPACN-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CC12CCOCC2
InChIInChI=1S/C17H30N2O2/c20-16(15-13-17(15)7-11-21-12-8-17)19-10-9-18-14-5-3-1-2-4-6-14/h14-15,18H,1-13H2,(H,19,20)
InChIKeyNYDQSIFIFVIHKU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide

N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 91659675) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID91659675
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CC12CCOCC2
InChIInChI=1S/C17H30N2O2/c20-16(15-13-17(15)7-11-21-12-8-17)19-10-9-18-14-5-3-1-2-4-6-14/h14-15,18H,1-13H2,(H,19,20)
InChIKeyNYDQSIFIFVIHKU-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 91659675) is N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide is O=C(NCCNC1CCCCCC1)C1CC12CCOCC2.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is NYDQSIFIFVIHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-16(15-13-17(15)7-11-21-12-8-17)19-10-9-18-14-5-3-1-2-4-6-14/h14-15,18H,1-13H2,(H,19,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 91659675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).