2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane

C13H26N2 — CID 20800744

IUPAC2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CN1CC2CC1CN2CC(C)C
InChIInChI=1S/C13H26N2/c1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyATSUDOWOSJPVGI-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.06
Rot. Bonds4

About 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane

2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 20800744) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID20800744
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CN1CC2CC1CN2CC(C)C
InChIInChI=1S/C13H26N2/c1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyATSUDOWOSJPVGI-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane (CID 20800744) is 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)CN1CC2CC1CN2CC(C)C.
What is the InChIKey of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is ATSUDOWOSJPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)6-14-8-13-5-12(14)9-15(13)7-11(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 210.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 20800744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).