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

C17H30N2O — CID 83258767

IUPAC6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1C1CCCCCC1C
InChIInChI=1S/C17H30N2O/c1-12(2)11-15-18-17(9-10-17)16(20)19(15)14-8-6-4-5-7-13(14)3/h12-15,18H,4-11H2,1-3H3
InChIKeyQGEWGEFVMPPGTM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.29
Rot. Bonds3

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

6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83258767) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83258767
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1C1CCCCCC1C
InChIInChI=1S/C17H30N2O/c1-12(2)11-15-18-17(9-10-17)16(20)19(15)14-8-6-4-5-7-13(14)3/h12-15,18H,4-11H2,1-3H3
InChIKeyQGEWGEFVMPPGTM-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylcyclohexyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83236731
5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258447
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
6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263149
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
2-ethyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257976
3-(2-methylcycloheptyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83258606
6-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270342
3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107421436
2-methyl-3-(2-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83238017
5-(2-methylpropyl)-6-(thiolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103065437

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83258767) is 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CC1NC2(CC2)C(=O)N1C1CCCCCC1C.
What is the InChIKey of 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is QGEWGEFVMPPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)11-15-18-17(9-10-17)16(20)19(15)14-8-6-4-5-7-13(14)3/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 278.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83258767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).