6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

C11H20N4 — CID 63293537

IUPAC6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
SMILESCC1CNCCN(Cc2nccn2C)C1
InChIInChI=1S/C11H20N4/c1-10-7-12-3-6-15(8-10)9-11-13-4-5-14(11)2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyWVCHQKKZCRTSRF-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.46
Rot. Bonds2

About 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane (PubChem CID 63293537) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
PubChem CID63293537
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
SMILESCC1CNCCN(Cc2nccn2C)C1
InChIInChI=1S/C11H20N4/c1-10-7-12-3-6-15(8-10)9-11-13-4-5-14(11)2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyWVCHQKKZCRTSRF-UHFFFAOYSA-N
XLogP0.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane?
The IUPAC name of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane (CID 63293537) is 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane?
The canonical SMILES for 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane is CC1CNCCN(Cc2nccn2C)C1.
What is the InChIKey of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane?
The InChIKey is WVCHQKKZCRTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10-7-12-3-6-15(8-10)9-11-13-4-5-14(11)2/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane?
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane has a molecular weight of 208.31 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 63293537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).