7-tert-butyl-2-azaspiro[3.3]heptane

C10H19N — CID 171431710

IUPAC7-tert-butyl-2-azaspiro[3.3]heptane
SMILESCC(C)(C)C1CCC12CNC2
InChIInChI=1S/C10H19N/c1-9(2,3)8-4-5-10(8)6-11-7-10/h8,11H,4-7H2,1-3H3
InChIKeyZXJHIFPBAFAADE-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds

About 7-tert-butyl-2-azaspiro[3.3]heptane

7-tert-butyl-2-azaspiro[3.3]heptane (PubChem CID 171431710) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 7-tert-butyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name7-tert-butyl-2-azaspiro[3.3]heptane
PubChem CID171431710
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name7-tert-butyl-2-azaspiro[3.3]heptane
SMILESCC(C)(C)C1CCC12CNC2
InChIInChI=1S/C10H19N/c1-9(2,3)8-4-5-10(8)6-11-7-10/h8,11H,4-7H2,1-3H3
InChIKeyZXJHIFPBAFAADE-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-3-tert-butyl-6-azaspiro[3.5]nonane
CID 171594443
4-tert-butylspiro[4.4]nonane
CID 140778111
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
CID 171594457
7-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 155087784
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
2-(2-fluoropropan-2-yl)-5-azaspiro[2.5]octane
CID 115013917
4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422
2-azaspiro[3.5]nonan-5-ol
CID 167738706
2-tert-butyl-1,1,5,5-tetramethylcyclohexane
CID 91142167
9-ethyl-6-azaspiro[3.5]nonane
CID 168959598

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-azaspiro[3.3]heptane?
The IUPAC name of 7-tert-butyl-2-azaspiro[3.3]heptane (CID 171431710) is 7-tert-butyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 7-tert-butyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 7-tert-butyl-2-azaspiro[3.3]heptane is CC(C)(C)C1CCC12CNC2.
What is the InChIKey of 7-tert-butyl-2-azaspiro[3.3]heptane?
The InChIKey is ZXJHIFPBAFAADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2,3)8-4-5-10(8)6-11-7-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 7-tert-butyl-2-azaspiro[3.3]heptane?
7-tert-butyl-2-azaspiro[3.3]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 171431710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).