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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Related Compounds

2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
(4aR,9aS)-2-tert-butyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 177091960
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane
CID 163559928
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977
6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane
CID 170420614

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).