2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane

C19H36N2 — CID 172511742

IUPAC2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CC(C2CCC3(CC2)CN(C(C)(C)C)C3)C1
InChIInChI=1S/C19H36N2/c1-17(2,3)20-11-16(12-20)15-7-9-19(10-8-15)13-21(14-19)18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyNPHFYPKQSMGQKQ-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.01
Rot. Bonds1

About 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane

2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane (PubChem CID 172511742) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
PubChem CID172511742
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CC(C2CCC3(CC2)CN(C(C)(C)C)C3)C1
InChIInChI=1S/C19H36N2/c1-17(2,3)20-11-16(12-20)15-7-9-19(10-8-15)13-21(14-19)18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyNPHFYPKQSMGQKQ-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane (CID 172511742) is 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane is CC(C)(C)N1CC(C2CCC3(CC2)CN(C(C)(C)C)C3)C1.
What is the InChIKey of 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane?
The InChIKey is NPHFYPKQSMGQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-17(2,3)20-11-16(12-20)15-7-9-19(10-8-15)13-21(14-19)18(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane?
2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane has a molecular weight of 292.51 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 172511742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).