6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane

C14H21N3 — CID 134595544

IUPAC6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)c1ccc(N2CC3(CCN3)C2)cn1
InChIInChI=1S/C14H21N3/c1-13(2,3)12-5-4-11(8-15-12)17-9-14(10-17)6-7-16-14/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyNQFMSRPSCNLBHO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.93
Rot. Bonds1

About 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane

6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane (PubChem CID 134595544) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane
PubChem CID134595544
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)c1ccc(N2CC3(CCN3)C2)cn1
InChIInChI=1S/C14H21N3/c1-13(2,3)12-5-4-11(8-15-12)17-9-14(10-17)6-7-16-14/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyNQFMSRPSCNLBHO-UHFFFAOYSA-N
XLogP1.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane (CID 134595544) is 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane is CC(C)(C)c1ccc(N2CC3(CCN3)C2)cn1.
What is the InChIKey of 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane?
The InChIKey is NQFMSRPSCNLBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-13(2,3)12-5-4-11(8-15-12)17-9-14(10-17)6-7-16-14/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane?
6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane has a molecular weight of 231.34 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 134595544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).