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

C9H17N — CID 10773056

IUPAC(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC[C@@H]1CC[C@@]2(C)CCCN12
InChIInChI=1S/C9H17N/c1-8-4-6-9(2)5-3-7-10(8)9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNGUFSRWGVANZTN-RKDXNWHRSA-N
MW139.24 g/mol
LogP2.02
Rot. Bonds

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

(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 10773056) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID10773056
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC[C@@H]1CC[C@@]2(C)CCCN12
InChIInChI=1S/C9H17N/c1-8-4-6-9(2)5-3-7-10(8)9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNGUFSRWGVANZTN-RKDXNWHRSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 10773056) is (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine is C[C@@H]1CC[C@@]2(C)CCCN12.
What is the InChIKey of (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is NGUFSRWGVANZTN-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17N/c1-8-4-6-9(2)5-3-7-10(8)9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 139.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 10773056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).