7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane

C11H20IN — CID 155006151

IUPAC7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCN(I)CC2)C1
InChIInChI=1S/C11H20IN/c1-9(2)10-7-11(8-10)3-5-13(12)6-4-11/h9-10H,3-8H2,1-2H3
InChIKeyHAYUWSKMKLHLRF-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.48
Rot. Bonds1

About 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane

7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 155006151) has the molecular formula C11H20IN and a molecular weight of 293.19 g/mol. Its IUPAC name is 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID155006151
Molecular FormulaC11H20IN
Molecular Weight293.19 g/mol
Exact Mass293.06
IUPAC Name7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCN(I)CC2)C1
InChIInChI=1S/C11H20IN/c1-9(2)10-7-11(8-10)3-5-13(12)6-4-11/h9-10H,3-8H2,1-2H3
InChIKeyHAYUWSKMKLHLRF-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine
CID 176986618
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 71244313
6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane
CID 129275808
6-cyclobutyl-2-propan-2-yl-6-azaspiro[3.4]octane
CID 170739996
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane
CID 169125674
8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane
CID 170137918
6-propan-2-yl-2-azanidaspiro[3.3]heptane;tungsten
CID 153472187
2,2,6,6-tetramethyl-1,4-di(propan-2-yl)piperidine
CID 58730801
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane (CID 155006151) is 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)C1CC2(CCN(I)CC2)C1.
What is the InChIKey of 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is HAYUWSKMKLHLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20IN/c1-9(2)10-7-11(8-10)3-5-13(12)6-4-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane?
7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 293.19 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 155006151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).