(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane

C9H16IN — CID 143603452

IUPAC(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1[C@@H]2CCC[C@H]1CC(I)C2
InChIInChI=1S/C9H16IN/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6H2,1H3/t7?,8-,9+
InChIKeyGZLYQKXXQSQZGH-CBLAIPOGSA-N
MW265.14 g/mol
LogP2.44
Rot. Bonds

About (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane

(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 143603452) has the molecular formula C9H16IN and a molecular weight of 265.14 g/mol. Its IUPAC name is (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID143603452
Molecular FormulaC9H16IN
Molecular Weight265.14 g/mol
Exact Mass265.03
IUPAC Name(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1[C@@H]2CCC[C@H]1CC(I)C2
InChIInChI=1S/C9H16IN/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6H2,1H3/t7?,8-,9+
InChIKeyGZLYQKXXQSQZGH-CBLAIPOGSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-Azabicyclo(3.3.1)nonane, 9-methyl-
CID 136318
9-Azabicyclo(3.3.1)nonane, 9-(1,1-dimethylethyl)-
CID 144082
9-Azabicyclo(3.3.1)nonane, 9-ethyl-
CID 144080
9-Azabicyclo(3.3.1)nonane, 9-(1-methylethyl)-
CID 144081
9-Azabicyclo(3.3.1)nonane, 9-propyl-
CID 144587
9-Iodo-9-azabicyclo[3.3.1]nonane
CID 134995806
9,9-Dimethyl-9-azabicyclo[3.3.1]nonan-9-ium iodide
CID 21144575
9-Methyl-9-azabicyclo[3.3.1]nonane hydrochloride
CID 521260
9,9-Dimethyl-9-azoniabicyclo[3.3.1]nonane
CID 425514
9-Ethyl-9-methyl-9-azoniabicyclo[3.3.1]nonane
CID 19067538
9-Ethyl-9-methyl-9-azoniabicyclo[3.3.1]nonane hydroxide
CID 19108180
1-(3-Iodopropyl)-2,6-dimethylpiperidine
CID 20135896

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane (CID 143603452) is (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane is CN1[C@@H]2CCC[C@H]1CC(I)C2.
What is the InChIKey of (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is GZLYQKXXQSQZGH-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H16IN/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6H2,1H3/t7?,8-,9+.
What are the key properties of (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane?
(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 265.14 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 143603452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).