6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane

C11H20IN — CID 129275808

IUPAC6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane
SMILESCC(C)C1CN(I)CC2(CCC2)C1
InChIInChI=1S/C11H20IN/c1-9(2)10-6-11(4-3-5-11)8-13(12)7-10/h9-10H,3-8H2,1-2H3
InChIKeyAYRZJEOCBYWXQD-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.48
Rot. Bonds1

About 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane

6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane (PubChem CID 129275808) has the molecular formula C11H20IN and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane
PubChem CID129275808
Molecular FormulaC11H20IN
Molecular Weight293.19 g/mol
Exact Mass293.06
IUPAC Name6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane
SMILESCC(C)C1CN(I)CC2(CCC2)C1
InChIInChI=1S/C11H20IN/c1-9(2)10-6-11(4-3-5-11)8-13(12)7-10/h9-10H,3-8H2,1-2H3
InChIKeyAYRZJEOCBYWXQD-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

(8R)-6-methyl-8-propan-2-yl-6-azaspiro[3.5]nonane
CID 129290560
7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 155006151
2-iodo-2-azaspiro[3.3]heptane
CID 118612431
2-iodo-3-propan-2-yl-2-azaspiro[4.5]decane
CID 166749395
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
6-iodo-6-azaspiro[3.5]nonane
CID 129299267
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
6-propan-2-yl-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 166968893
(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382412
6-cyclobutyl-2-propan-2-yl-6-azaspiro[3.4]octane
CID 170739996

Frequently Asked Questions

What is the IUPAC name of 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane?
The IUPAC name of 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane (CID 129275808) is 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane.
What is the SMILES notation for 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane?
The canonical SMILES for 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane is CC(C)C1CN(I)CC2(CCC2)C1.
What is the InChIKey of 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane?
The InChIKey is AYRZJEOCBYWXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20IN/c1-9(2)10-6-11(4-3-5-11)8-13(12)7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane?
6-iodo-8-propan-2-yl-6-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 6-iodo-8-propan-2-yl-6-azaspiro[3.5]nonane is sourced from PubChem (CID 129275808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).