7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane

C13H22N2 — CID 169016211

IUPAC7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane
SMILES[C-]#[N+]C1CC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C13H22N2/c1-12(2,3)15-7-5-13(6-8-15)9-11(10-13)14-4/h11H,5-10H2,1-3H3
InChIKeyNQGQSSJLSXSMJI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.95
Rot. Bonds

About 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane

7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane (PubChem CID 169016211) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane
PubChem CID169016211
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane
SMILES[C-]#[N+]C1CC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C13H22N2/c1-12(2,3)15-7-5-13(6-8-15)9-11(10-13)14-4/h11H,5-10H2,1-3H3
InChIKeyNQGQSSJLSXSMJI-UHFFFAOYSA-N
XLogP2.95
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;rhenium
CID 59577455
1-tert-butyl-3-isocyanopiperidine
CID 84765134
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
CID 174065957
CID 174065957
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247
8-tert-butyl-2-thia-8-azaspiro[4.5]decane
CID 134462554
2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
CID 167549222
1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523
8-tert-butyl-2-ethyl-2,8-diazaspiro[4.5]decane
CID 147776127
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane?
The IUPAC name of 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane (CID 169016211) is 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane is [C-]#[N+]C1CC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane?
The InChIKey is NQGQSSJLSXSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2,3)15-7-5-13(6-8-15)9-11(10-13)14-4/h11H,5-10H2,1-3H3.
What are the key properties of 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane?
7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane has a molecular weight of 206.33 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane is sourced from PubChem (CID 169016211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).