2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane

C16H25N3 — CID 59505317

IUPAC2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C16H25N3/c1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14/h4-5,8-9H,6-7,10-13H2,1-3H3
InChIKeyDQWHHLPOHDJIEW-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.78
Rot. Bonds1

About 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane

2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 59505317) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
PubChem CID59505317
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C16H25N3/c1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14/h4-5,8-9H,6-7,10-13H2,1-3H3
InChIKeyDQWHHLPOHDJIEW-UHFFFAOYSA-N
XLogP2.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane (CID 59505317) is 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane is CC(C)(C)N1CC2(CCN(c3ccncc3)CC2)C1.
What is the InChIKey of 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is DQWHHLPOHDJIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-15(2,3)19-12-16(13-19)6-10-18(11-7-16)14-4-8-17-9-5-14/h4-5,8-9H,6-7,10-13H2,1-3H3.
What are the key properties of 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane?
2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 259.40 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 59505317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).