2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine

C14H27N — CID 174266527

IUPAC2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCCC(C)(C)C12CCCN1CC(C)C2
InChIInChI=1S/C14H27N/c1-5-7-13(3,4)14-8-6-9-15(14)11-12(2)10-14/h12H,5-11H2,1-4H3
InChIKeyMSPZWHYKHFVOCC-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds3

About 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine

2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 174266527) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID174266527
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCCC(C)(C)C12CCCN1CC(C)C2
InChIInChI=1S/C14H27N/c1-5-7-13(3,4)14-8-6-9-15(14)11-12(2)10-14/h12H,5-11H2,1-4H3
InChIKeyMSPZWHYKHFVOCC-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 164798952
(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170704092
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
(2R,8S)-2-methyl-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196327
1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane
CID 123191359
1-(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)cyclopropan-1-ol
CID 166533385
tert-butyl-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170897953
1-(2-methylpentan-2-yl)bicyclo[2.2.1]heptane
CID 123762100
1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine
CID 134473496
8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 176778512
(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane
CID 130224564
(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 123617819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 174266527) is 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine is CCCC(C)(C)C12CCCN1CC(C)C2.
What is the InChIKey of 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is MSPZWHYKHFVOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-13(3,4)14-8-6-9-15(14)11-12(2)10-14/h12H,5-11H2,1-4H3.
What are the key properties of 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 209.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 174266527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).