5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one

C15H26N2O — CID 83258447

IUPAC5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1C1CCCCCC1C
InChIInChI=1S/C15H26N2O/c1-3-13-16-15(9-10-15)14(18)17(13)12-8-6-4-5-7-11(12)2/h11-13,16H,3-10H2,1-2H3
InChIKeyPDPJZORZOALVQD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds2

About 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one

5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83258447) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83258447
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1C1CCCCCC1C
InChIInChI=1S/C15H26N2O/c1-3-13-16-15(9-10-15)14(18)17(13)12-8-6-4-5-7-11(12)2/h11-13,16H,3-10H2,1-2H3
InChIKeyPDPJZORZOALVQD-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-6-(2-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237288
2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83258443
2-ethyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257976
5-ethyl-6-(2-methylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255583
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258767
3-(2-methylcyclohexyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83236731
2-methyl-3-(2-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83238017
5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243449
2-ethyl-3-(2-methoxycyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83254141
6-(2-methylcyclopropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255505
2-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270692
2-cyclopentyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264147

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83258447) is 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one is CCC1NC2(CC2)C(=O)N1C1CCCCCC1C.
What is the InChIKey of 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is PDPJZORZOALVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-13-16-15(9-10-15)14(18)17(13)12-8-6-4-5-7-11(12)2/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 250.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83258447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).