(4R)-3-tert-butyl-6-azaspiro[3.5]nonane

C12H23N — CID 171594443

IUPAC(4R)-3-tert-butyl-6-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CC[C@@]12CCCNC2
InChIInChI=1S/C12H23N/c1-11(2,3)10-5-7-12(10)6-4-8-13-9-12/h10,13H,4-9H2,1-3H3/t10?,12-/m1/s1
InChIKeyFZLZXLFGUBOVKS-TVKKRMFBSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds

About (4R)-3-tert-butyl-6-azaspiro[3.5]nonane

(4R)-3-tert-butyl-6-azaspiro[3.5]nonane (PubChem CID 171594443) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (4R)-3-tert-butyl-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(4R)-3-tert-butyl-6-azaspiro[3.5]nonane
PubChem CID171594443
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(4R)-3-tert-butyl-6-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CC[C@@]12CCCNC2
InChIInChI=1S/C12H23N/c1-11(2,3)10-5-7-12(10)6-4-8-13-9-12/h10,13H,4-9H2,1-3H3/t10?,12-/m1/s1
InChIKeyFZLZXLFGUBOVKS-TVKKRMFBSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-tert-butyl-2-azaspiro[3.3]heptane
CID 171431710
2-(2-fluoropropan-2-yl)-5-azaspiro[2.5]octane
CID 115013917
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
3-tert-butyl-3-ethylpiperidine
CID 89426414
1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 56924036
spiro[bicyclo[4.1.0]heptane-2,3'-piperidine]
CID 83873409
9-ethyl-6-azaspiro[3.5]nonane
CID 168959598
3-(2,2-dimethylpropyl)piperidin-3-ol
CID 83682912
3-cyclopropyl-3-ethylpiperidine
CID 64919354
6-azaspiro[3.5]nonan-9-ol
CID 82418041

Frequently Asked Questions

What is the IUPAC name of (4R)-3-tert-butyl-6-azaspiro[3.5]nonane?
The IUPAC name of (4R)-3-tert-butyl-6-azaspiro[3.5]nonane (CID 171594443) is (4R)-3-tert-butyl-6-azaspiro[3.5]nonane.
What is the SMILES notation for (4R)-3-tert-butyl-6-azaspiro[3.5]nonane?
The canonical SMILES for (4R)-3-tert-butyl-6-azaspiro[3.5]nonane is CC(C)(C)C1CC[C@@]12CCCNC2.
What is the InChIKey of (4R)-3-tert-butyl-6-azaspiro[3.5]nonane?
The InChIKey is FZLZXLFGUBOVKS-TVKKRMFBSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)10-5-7-12(10)6-4-8-13-9-12/h10,13H,4-9H2,1-3H3/t10?,12-/m1/s1.
What are the key properties of (4R)-3-tert-butyl-6-azaspiro[3.5]nonane?
(4R)-3-tert-butyl-6-azaspiro[3.5]nonane has a molecular weight of 181.32 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-tert-butyl-6-azaspiro[3.5]nonane is sourced from PubChem (CID 171594443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).