8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C11H21IN2 — CID 135200103

IUPAC8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCN(I)CC2)C1
InChIInChI=1S/C11H21IN2/c1-10(2)13-6-3-11(9-13)4-7-14(12)8-5-11/h10H,3-9H2,1-2H3
InChIKeySXNMPOIXMWVUMH-UHFFFAOYSA-N
MW308.21 g/mol
LogP2.53
Rot. Bonds1

About 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane

8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 135200103) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID135200103
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCN(I)CC2)C1
InChIInChI=1S/C11H21IN2/c1-10(2)13-6-3-11(9-13)4-7-14(12)8-5-11/h10H,3-9H2,1-2H3
InChIKeySXNMPOIXMWVUMH-UHFFFAOYSA-N
XLogP2.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247

Frequently Asked Questions

What is the IUPAC name of 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 135200103) is 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CC(C)N1CCC2(CCN(I)CC2)C1.
What is the InChIKey of 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is SXNMPOIXMWVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2/c1-10(2)13-6-3-11(9-13)4-7-14(12)8-5-11/h10H,3-9H2,1-2H3.
What are the key properties of 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 308.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 135200103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).