8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane

C18H29N3 — CID 64934328

IUPAC8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCc1ccccn1
InChIInChI=1S/C18H29N3/c1-15(2)17-13-20-18(9-4-5-10-18)14-21(17)12-8-16-7-3-6-11-19-16/h3,6-7,11,15,17,20H,4-5,8-10,12-14H2,1-2H3
InChIKeyMEBGYNPZVOHKPY-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.87
Rot. Bonds4

About 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane

8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64934328) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64934328
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCc1ccccn1
InChIInChI=1S/C18H29N3/c1-15(2)17-13-20-18(9-4-5-10-18)14-21(17)12-8-16-7-3-6-11-19-16/h3,6-7,11,15,17,20H,4-5,8-10,12-14H2,1-2H3
InChIKeyMEBGYNPZVOHKPY-UHFFFAOYSA-N
XLogP2.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane (CID 64934328) is 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1CCc1ccccn1.
What is the InChIKey of 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is MEBGYNPZVOHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15(2)17-13-20-18(9-4-5-10-18)14-21(17)12-8-16-7-3-6-11-19-16/h3,6-7,11,15,17,20H,4-5,8-10,12-14H2,1-2H3.
What are the key properties of 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane?
8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 287.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64934328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).