6-iodo-6-azaspiro[4.6]undecane

C10H18IN — CID 145095330

IUPAC6-iodo-6-azaspiro[4.6]undecane
SMILESIN1CCCCCC12CCCC2
InChIInChI=1S/C10H18IN/c11-12-9-5-1-2-6-10(12)7-3-4-8-10/h1-9H2
InChIKeyNABCFFCYVUWTIC-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.53
Rot. Bonds

About 6-iodo-6-azaspiro[4.6]undecane

6-iodo-6-azaspiro[4.6]undecane (PubChem CID 145095330) has the molecular formula C10H18IN and a molecular weight of 279.16 g/mol. Its IUPAC name is 6-iodo-6-azaspiro[4.6]undecane.

Molecular Properties

Compound Name6-iodo-6-azaspiro[4.6]undecane
PubChem CID145095330
Molecular FormulaC10H18IN
Molecular Weight279.16 g/mol
Exact Mass279.05
IUPAC Name6-iodo-6-azaspiro[4.6]undecane
SMILESIN1CCCCCC12CCCC2
InChIInChI=1S/C10H18IN/c11-12-9-5-1-2-6-10(12)7-3-4-8-10/h1-9H2
InChIKeyNABCFFCYVUWTIC-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.53
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

(9R)-6-iodo-9-methyl-6-azaspiro[4.6]undecane
CID 145095630
(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane
CID 145095351
(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane
CID 145095318
5-methyl-2,5-diazaspiro[3.41]pentatetracontane
CID 134587859
1-tert-butyl-1-azaspiro[3.5]nonane
CID 118157692
6-azatricyclo[6.1.1.01,6]decane
CID 177199832
CID 173487034
CID 173487034
1-methyl-1,4-diazaspiro[5.5]undecane
CID 20761876
4-iodo-7-methyl-4-azaspiro[2.5]octane
CID 145095628
pyrrolidin-1-ylphosphanium bromide
CID 57452285
(NE)-N-[(1-piperidin-1-ylcyclopentyl)methylidene]hydroxylamine
CID 134992638
5-cyclopropyl-2-propan-2-yl-5-azaspiro[3.5]nonane
CID 164867855

Frequently Asked Questions

What is the IUPAC name of 6-iodo-6-azaspiro[4.6]undecane?
The IUPAC name of 6-iodo-6-azaspiro[4.6]undecane (CID 145095330) is 6-iodo-6-azaspiro[4.6]undecane.
What is the SMILES notation for 6-iodo-6-azaspiro[4.6]undecane?
The canonical SMILES for 6-iodo-6-azaspiro[4.6]undecane is IN1CCCCCC12CCCC2.
What is the InChIKey of 6-iodo-6-azaspiro[4.6]undecane?
The InChIKey is NABCFFCYVUWTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN/c11-12-9-5-1-2-6-10(12)7-3-4-8-10/h1-9H2.
What are the key properties of 6-iodo-6-azaspiro[4.6]undecane?
6-iodo-6-azaspiro[4.6]undecane has a molecular weight of 279.16 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-6-azaspiro[4.6]undecane is sourced from PubChem (CID 145095330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).