1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C15H29N3 — CID 55118612

IUPAC1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC1CNC(C)CCN(C2CCN3CCCC23)C1
InChIInChI=1S/C15H29N3/c1-12-10-16-13(2)5-8-18(11-12)15-6-9-17-7-3-4-14(15)17/h12-16H,3-11H2,1-2H3
InChIKeyGAUODMGRNKSGTJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds1

About 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 55118612) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID55118612
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC1CNC(C)CCN(C2CCN3CCCC23)C1
InChIInChI=1S/C15H29N3/c1-12-10-16-13(2)5-8-18(11-12)15-6-9-17-7-3-4-14(15)17/h12-16H,3-11H2,1-2H3
InChIKeyGAUODMGRNKSGTJ-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 55118612) is 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC1CNC(C)CCN(C2CCN3CCCC23)C1.
What is the InChIKey of 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is GAUODMGRNKSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12-10-16-13(2)5-8-18(11-12)15-6-9-17-7-3-4-14(15)17/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 55118612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).