8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane

C19H36N2 — CID 23359055

IUPAC8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC)CCC2(CCN(C3CCNC3)C2)CC1
InChIInChI=1S/C19H36N2/c1-3-6-18(7-4-2)8-10-19(11-9-18)12-14-21(16-19)17-5-13-20-15-17/h17,20H,3-16H2,1-2H3
InChIKeyYSGMDSTYEGKCHD-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds5

About 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane

8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane (PubChem CID 23359055) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane
PubChem CID23359055
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC)CCC2(CCN(C3CCNC3)C2)CC1
InChIInChI=1S/C19H36N2/c1-3-6-18(7-4-2)8-10-19(11-9-18)12-14-21(16-19)17-5-13-20-15-17/h17,20H,3-16H2,1-2H3
InChIKeyYSGMDSTYEGKCHD-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane?
The IUPAC name of 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane (CID 23359055) is 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane.
What is the SMILES notation for 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane?
The canonical SMILES for 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane is CCCC1(CCC)CCC2(CCN(C3CCNC3)C2)CC1.
What is the InChIKey of 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane?
The InChIKey is YSGMDSTYEGKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-6-18(7-4-2)8-10-19(11-9-18)12-14-21(16-19)17-5-13-20-15-17/h17,20H,3-16H2,1-2H3.
What are the key properties of 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane?
8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane has a molecular weight of 292.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dipropyl-2-pyrrolidin-3-yl-2-azaspiro[4.5]decane is sourced from PubChem (CID 23359055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).