(2R)-1-methyl-2-(2-methyloctyl)azetidine

C13H27N — CID 155467522

IUPAC(2R)-1-methyl-2-(2-methyloctyl)azetidine
SMILESCCCCCCC(C)C[C@@H]1CCN1C
InChIInChI=1S/C13H27N/c1-4-5-6-7-8-12(2)11-13-9-10-14(13)3/h12-13H,4-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyQGACMEHUPNOWIA-ABLWVSNPSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds7

About (2R)-1-methyl-2-(2-methyloctyl)azetidine

(2R)-1-methyl-2-(2-methyloctyl)azetidine (PubChem CID 155467522) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (2R)-1-methyl-2-(2-methyloctyl)azetidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-(2-methyloctyl)azetidine
PubChem CID155467522
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(2R)-1-methyl-2-(2-methyloctyl)azetidine
SMILESCCCCCCC(C)C[C@@H]1CCN1C
InChIInChI=1S/C13H27N/c1-4-5-6-7-8-12(2)11-13-9-10-14(13)3/h12-13H,4-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyQGACMEHUPNOWIA-ABLWVSNPSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-methyl-2-(2-methylpentyl)azetidine
CID 155094740
1-methyl-2-(2-methylhexyl)pyrrolidine
CID 155425849
2-methyltridecylcyclopropane
CID 123424034
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
6-methyloctacosane
CID 22223942
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-(2-methyloctyl)azetidine?
The IUPAC name of (2R)-1-methyl-2-(2-methyloctyl)azetidine (CID 155467522) is (2R)-1-methyl-2-(2-methyloctyl)azetidine.
What is the SMILES notation for (2R)-1-methyl-2-(2-methyloctyl)azetidine?
The canonical SMILES for (2R)-1-methyl-2-(2-methyloctyl)azetidine is CCCCCCC(C)C[C@@H]1CCN1C.
What is the InChIKey of (2R)-1-methyl-2-(2-methyloctyl)azetidine?
The InChIKey is QGACMEHUPNOWIA-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-7-8-12(2)11-13-9-10-14(13)3/h12-13H,4-11H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (2R)-1-methyl-2-(2-methyloctyl)azetidine?
(2R)-1-methyl-2-(2-methyloctyl)azetidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-(2-methyloctyl)azetidine is sourced from PubChem (CID 155467522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).