(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine

C9H17N — CID 170704092

IUPAC(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC[C@H]1CN2CCCC2(C)C1
InChIInChI=1S/C9H17N/c1-8-6-9(2)4-3-5-10(9)7-8/h8H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyILEHBHJFGRLBHR-VEDVMXKPSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine

(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170704092) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170704092
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC[C@H]1CN2CCCC2(C)C1
InChIInChI=1S/C9H17N/c1-8-6-9(2)4-3-5-10(9)7-8/h8H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyILEHBHJFGRLBHR-VEDVMXKPSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 170704092) is (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine is C[C@H]1CN2CCCC2(C)C1.
What is the InChIKey of (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is ILEHBHJFGRLBHR-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H17N/c1-8-6-9(2)4-3-5-10(9)7-8/h8H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170704092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).