3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane

C11H18N4 — CID 134436784

IUPAC3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCc1cnc(CN2C3CC2CN(C)C3)[nH]1
InChIInChI=1S/C11H18N4/c1-8-4-12-11(13-8)7-15-9-3-10(15)6-14(2)5-9/h4,9-10H,3,5-7H2,1-2H3,(H,12,13)
InChIKeyIOTATZVYSFAMHG-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.61
Rot. Bonds2

About 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane

3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134436784) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134436784
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCc1cnc(CN2C3CC2CN(C)C3)[nH]1
InChIInChI=1S/C11H18N4/c1-8-4-12-11(13-8)7-15-9-3-10(15)6-14(2)5-9/h4,9-10H,3,5-7H2,1-2H3,(H,12,13)
InChIKeyIOTATZVYSFAMHG-UHFFFAOYSA-N
XLogP0.61
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]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 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane (CID 134436784) is 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is Cc1cnc(CN2C3CC2CN(C)C3)[nH]1.
What is the InChIKey of 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is IOTATZVYSFAMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-4-12-11(13-8)7-15-9-3-10(15)6-14(2)5-9/h4,9-10H,3,5-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 206.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134436784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).