7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane

C10H19INO- — CID 176679056

IUPAC7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane
SMILESC[I-]OC1CC2(CCN(C)CC2)C1
InChIInChI=1S/C10H19INO/c1-11-13-9-7-10(8-9)3-5-12(2)6-4-10/h9H,3-8H2,1-2H3/q-1
InChIKeyXJCOFUBADOCGNB-UHFFFAOYSA-N
MW296.17 g/mol
LogP-1.49
Rot. Bonds2

About 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane

7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane (PubChem CID 176679056) has the molecular formula C10H19INO- and a molecular weight of 296.17 g/mol. Its IUPAC name is 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane
PubChem CID176679056
Molecular FormulaC10H19INO-
Molecular Weight296.17 g/mol
Exact Mass296.05
IUPAC Name7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane
SMILESC[I-]OC1CC2(CCN(C)CC2)C1
InChIInChI=1S/C10H19INO/c1-11-13-9-7-10(8-9)3-5-12(2)6-4-10/h9H,3-8H2,1-2H3/q-1
InChIKeyXJCOFUBADOCGNB-UHFFFAOYSA-N
XLogP-1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane
CID 177319171
N,N-diethyl-7-methyl-7-azaspiro[3.5]nonan-2-amine
CID 166872462
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
7-methyl-2-piperazin-1-yl-7-azaspiro[3.5]nonane
CID 142390652
3-methyl-3-azaspiro[5.12]octadecane
CID 71021122
3-methyl-3-azaspiro[5.9]pentadecane
CID 170128255
N,8-dimethyl-8-azaspiro[4.5]decan-3-amine
CID 164868798
3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane
CID 156707007
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(3-methylazetidin-1-yl)methanone
CID 176954071
(8S)-6,8-dimethyl-6-azaspiro[2.6]nonane
CID 166891491
3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine
CID 158023506

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane (CID 176679056) is 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane is C[I-]OC1CC2(CCN(C)CC2)C1.
What is the InChIKey of 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane?
The InChIKey is XJCOFUBADOCGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19INO/c1-11-13-9-7-10(8-9)3-5-12(2)6-4-10/h9H,3-8H2,1-2H3/q-1.
What are the key properties of 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane?
7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane has a molecular weight of 296.17 g/mol, XLogP of -1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methyliodanuidyloxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176679056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).