8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane

C20H38N2 — CID 14836351

IUPAC8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane
SMILESCCC1(CC)CCC2(CCN(CCCN3CCCC3)C2)CC1
InChIInChI=1S/C20H38N2/c1-3-19(4-2)8-10-20(11-9-19)12-17-22(18-20)16-7-15-21-13-5-6-14-21/h3-18H2,1-2H3
InChIKeyPZPSCBLDQQTKEY-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.54
Rot. Bonds6

About 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane

8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane (PubChem CID 14836351) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane
PubChem CID14836351
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane
SMILESCCC1(CC)CCC2(CCN(CCCN3CCCC3)C2)CC1
InChIInChI=1S/C20H38N2/c1-3-19(4-2)8-10-20(11-9-19)12-17-22(18-20)16-7-15-21-13-5-6-14-21/h3-18H2,1-2H3
InChIKeyPZPSCBLDQQTKEY-UHFFFAOYSA-N
XLogP4.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane?
The IUPAC name of 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane (CID 14836351) is 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane is CCC1(CC)CCC2(CCN(CCCN3CCCC3)C2)CC1.
What is the InChIKey of 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane?
The InChIKey is PZPSCBLDQQTKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-3-19(4-2)8-10-20(11-9-19)12-17-22(18-20)16-7-15-21-13-5-6-14-21/h3-18H2,1-2H3.
What are the key properties of 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane?
8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane has a molecular weight of 306.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethyl-2-(3-pyrrolidin-1-ylpropyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 14836351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).