5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane

C16H31N — CID 107430646

IUPAC5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane
SMILESCCC1CNCCC12CCCC(CC(C)C)C2
InChIInChI=1S/C16H31N/c1-4-15-12-17-9-8-16(15)7-5-6-14(11-16)10-13(2)3/h13-15,17H,4-12H2,1-3H3
InChIKeyYGDRNEVWJCIJLD-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds3

About 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane

5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane (PubChem CID 107430646) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane
PubChem CID107430646
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane
SMILESCCC1CNCCC12CCCC(CC(C)C)C2
InChIInChI=1S/C16H31N/c1-4-15-12-17-9-8-16(15)7-5-6-14(11-16)10-13(2)3/h13-15,17H,4-12H2,1-3H3
InChIKeyYGDRNEVWJCIJLD-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
CID 79320901
5-ethyl-3-azaspiro[5.11]heptadecane
CID 79321032
5-ethyl-3-azaspiro[5.7]tridecane
CID 79321134
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
CID 107430677
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane
CID 79320349
9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane
CID 79321593
9-methyl-5-(2-methylpropyl)-3,9-diazaspiro[5.6]dodecane
CID 79320211
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3-(2-methylpropyl)azecane
CID 91499893
3-(2-methylpropyl)-azacyclododecane
CID 18705357

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane (CID 107430646) is 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane is CCC1CNCCC12CCCC(CC(C)C)C2.
What is the InChIKey of 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane?
The InChIKey is YGDRNEVWJCIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-15-12-17-9-8-16(15)7-5-6-14(11-16)10-13(2)3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane?
5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane has a molecular weight of 237.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10-(2-methylpropyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 107430646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).