1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one

C23H40N2O — CID 170133437

IUPAC1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one
SMILESCCC1CC2(CCN(C(=O)CCCC3CC4(CCN(C)CC4)C3)CC2)C1
InChIInChI=1S/C23H40N2O/c1-3-19-15-23(16-19)9-13-25(14-10-23)21(26)6-4-5-20-17-22(18-20)7-11-24(2)12-8-22/h19-20H,3-18H2,1-2H3
InChIKeyLWMRTFVCAARJLJ-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.71
Rot. Bonds5

About 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one

1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one (PubChem CID 170133437) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one
PubChem CID170133437
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC Name1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one
SMILESCCC1CC2(CCN(C(=O)CCCC3CC4(CCN(C)CC4)C3)CC2)C1
InChIInChI=1S/C23H40N2O/c1-3-19-15-23(16-19)9-13-25(14-10-23)21(26)6-4-5-20-17-22(18-20)7-11-24(2)12-8-22/h19-20H,3-18H2,1-2H3
InChIKeyLWMRTFVCAARJLJ-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one?
The IUPAC name of 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one (CID 170133437) is 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one.
What is the SMILES notation for 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one?
The canonical SMILES for 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one is CCC1CC2(CCN(C(=O)CCCC3CC4(CCN(C)CC4)C3)CC2)C1.
What is the InChIKey of 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one?
The InChIKey is LWMRTFVCAARJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c1-3-19-15-23(16-19)9-13-25(14-10-23)21(26)6-4-5-20-17-22(18-20)7-11-24(2)12-8-22/h19-20H,3-18H2,1-2H3.
What are the key properties of 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one?
1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one has a molecular weight of 360.59 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one is sourced from PubChem (CID 170133437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).