2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane

C14H21N3 — CID 177083591

IUPAC2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)c1ccc(CN2CC3(CNC3)C2)nc1
InChIInChI=1S/C14H21N3/c1-11(2)12-3-4-13(16-5-12)6-17-9-14(10-17)7-15-8-14/h3-5,11,15H,6-10H2,1-2H3
InChIKeySDAHMPNLXYXFEO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.61
Rot. Bonds3

About 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane

2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 177083591) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID177083591
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)c1ccc(CN2CC3(CNC3)C2)nc1
InChIInChI=1S/C14H21N3/c1-11(2)12-3-4-13(16-5-12)6-17-9-14(10-17)7-15-8-14/h3-5,11,15H,6-10H2,1-2H3
InChIKeySDAHMPNLXYXFEO-UHFFFAOYSA-N
XLogP1.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane (CID 177083591) is 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane is CC(C)c1ccc(CN2CC3(CNC3)C2)nc1.
What is the InChIKey of 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is SDAHMPNLXYXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(2)12-3-4-13(16-5-12)6-17-9-14(10-17)7-15-8-14/h3-5,11,15H,6-10H2,1-2H3.
What are the key properties of 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane?
2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 231.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 177083591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).