2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane

C13H19N3 — CID 162698058

IUPAC2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CN(c3cccnc3)C2)C1
InChIInChI=1S/C13H19N3/c1-11(2)15-7-13(8-15)9-16(10-13)12-4-3-5-14-6-12/h3-6,11H,7-10H2,1-2H3
InChIKeySJGPZGTUHHDPEN-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.61
Rot. Bonds2

About 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane

2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane (PubChem CID 162698058) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane
PubChem CID162698058
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CN(c3cccnc3)C2)C1
InChIInChI=1S/C13H19N3/c1-11(2)15-7-13(8-15)9-16(10-13)12-4-3-5-14-6-12/h3-6,11H,7-10H2,1-2H3
InChIKeySJGPZGTUHHDPEN-UHFFFAOYSA-N
XLogP1.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane (CID 162698058) is 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane is CC(C)N1CC2(CN(c3cccnc3)C2)C1.
What is the InChIKey of 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane?
The InChIKey is SJGPZGTUHHDPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11(2)15-7-13(8-15)9-16(10-13)12-4-3-5-14-6-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane?
2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane has a molecular weight of 217.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-pyridin-3-yl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 162698058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).