N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide

C18H26N4O2 — CID 137032152

IUPACN'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C18H26N4O2/c1-2-8-19-17(20-9-6-15-5-3-11-24-15)22-10-4-7-18(14-22)12-16(23)21-13-18/h2-3,5,11H,1,4,6-10,12-14H2,(H,19,20)(H,21,23)
InChIKeyHXDYLNXWMVNJMH-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.56
Rot. Bonds5

About N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide

N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide (PubChem CID 137032152) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide
PubChem CID137032152
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C18H26N4O2/c1-2-8-19-17(20-9-6-15-5-3-11-24-15)22-10-4-7-18(14-22)12-16(23)21-13-18/h2-3,5,11H,1,4,6-10,12-14H2,(H,19,20)(H,21,23)
InChIKeyHXDYLNXWMVNJMH-UHFFFAOYSA-N
XLogP1.56
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644
4-benzyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide
CID 136925072
methyl 1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidine-4-carboxylate
CID 136924166
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 136727066
3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide
CID 136727250
2-[1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 136727088
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 136727011
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 136926135
N'-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
CID 136727102
N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
CID 136727108
N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733928

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide (CID 137032152) is N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide is C=CCN/C(=N\CCc1ccco1)N1CCCC2(CNC(=O)C2)C1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide?
The InChIKey is HXDYLNXWMVNJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-2-8-19-17(20-9-6-15-5-3-11-24-15)22-10-4-7-18(14-22)12-16(23)21-13-18/h2-3,5,11H,1,4,6-10,12-14H2,(H,19,20)(H,21,23).
What are the key properties of N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide?
N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide has a molecular weight of 330.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide is sourced from PubChem (CID 137032152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).