(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane

C12H22IN — CID 145095351

IUPAC(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane
SMILESCC(C)[C@@H]1CCN(I)C2(CCC2)CC1
InChIInChI=1S/C12H22IN/c1-10(2)11-4-8-12(6-3-7-12)14(13)9-5-11/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyFZORJMDXWIOSMF-NSHDSACASA-N
MW307.22 g/mol
LogP4.02
Rot. Bonds1

About (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane

(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane (PubChem CID 145095351) has the molecular formula C12H22IN and a molecular weight of 307.22 g/mol. Its IUPAC name is (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane.

Molecular Properties

Compound Name(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane
PubChem CID145095351
Molecular FormulaC12H22IN
Molecular Weight307.22 g/mol
Exact Mass307.08
IUPAC Name(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane
SMILESCC(C)[C@@H]1CCN(I)C2(CCC2)CC1
InChIInChI=1S/C12H22IN/c1-10(2)11-4-8-12(6-3-7-12)14(13)9-5-11/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyFZORJMDXWIOSMF-NSHDSACASA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.02
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
5-cyclopropyl-2-propan-2-yl-5-azaspiro[3.5]nonane
CID 164867855
6-iodo-6-azaspiro[4.6]undecane
CID 145095330
2-hydroxy-1-(3-propan-2-yl-6-azaspiro[4.5]decan-6-yl)ethanone
CID 129088275
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
2-chloro-1-(7-propan-2-yl-1-azaspiro[4.5]decan-1-yl)ethanone
CID 169182611
4-iodo-7-methyl-4-azaspiro[2.5]octane
CID 145095628
1-piperidin-1-yl-4-propan-2-ylpiperidine
CID 59686721
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine
CID 176986618
7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 155006151
4-propan-2-ylazepane-1-carbaldehyde
CID 64991796

Frequently Asked Questions

What is the IUPAC name of (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane?
The IUPAC name of (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane (CID 145095351) is (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane.
What is the SMILES notation for (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane?
The canonical SMILES for (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane is CC(C)[C@@H]1CCN(I)C2(CCC2)CC1.
What is the InChIKey of (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane?
The InChIKey is FZORJMDXWIOSMF-NSHDSACASA-N. The full InChI is InChI=1S/C12H22IN/c1-10(2)11-4-8-12(6-3-7-12)14(13)9-5-11/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane?
(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane has a molecular weight of 307.22 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane is sourced from PubChem (CID 145095351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).