(4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane

C8H14IN — CID 145095406

IUPAC(4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane
SMILESCC1CCC[C@@]12CCN2I
InChIInChI=1S/C8H14IN/c1-7-3-2-4-8(7)5-6-10(8)9/h7H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyHKNKTRZLBPQYNM-BRFYHDHCSA-N
MW251.11 g/mol
LogP2.60
Rot. Bonds

About (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane

(4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane (PubChem CID 145095406) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane.

Molecular Properties

Compound Name(4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane
PubChem CID145095406
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name(4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane
SMILESCC1CCC[C@@]12CCN2I
InChIInChI=1S/C8H14IN/c1-7-3-2-4-8(7)5-6-10(8)9/h7H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyHKNKTRZLBPQYNM-BRFYHDHCSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.60
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

(11S)-6-iodo-11-methyl-6-azaspiro[4.6]undecane
CID 145095318
(4S)-4-methylspiro[4.4]nonane
CID 148967518
(4aS,7aS)-2-iodo-2'-methylspiro[4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,1'-cyclopropane]
CID 167229586
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
CID 102412356
(5S)-2,5-dimethyl-2-azaspiro[3.4]octane;ethane
CID 169125292
3,11-dimethyl-3-azaspiro[5.5]undecane
CID 118029302
(9R)-6-iodo-9-methyl-6-azaspiro[4.6]undecane
CID 145095630
4-methyl-8-propyl-8-azaspiro[4.5]decane
CID 177177755
(9R)-9-methylspiro[3.5]nonane
CID 140885739
1-ethyl-9-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79509728
9-methyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498909
1,11-dimethyl-8-oxa-1-azaspiro[5.5]undecane
CID 122598907

Frequently Asked Questions

What is the IUPAC name of (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane?
The IUPAC name of (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane (CID 145095406) is (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane.
What is the SMILES notation for (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane?
The canonical SMILES for (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane is CC1CCC[C@@]12CCN2I.
What is the InChIKey of (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane?
The InChIKey is HKNKTRZLBPQYNM-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H14IN/c1-7-3-2-4-8(7)5-6-10(8)9/h7H,2-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane?
(4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane has a molecular weight of 251.11 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-iodo-5-methyl-1-azaspiro[3.4]octane is sourced from PubChem (CID 145095406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).