1-benzyl-4-methyl-1,4-diazepane

C13H20N2 — CID 763834

IUPAC1-benzyl-4-methyl-1,4-diazepane
SMILESCN1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2/c1-14-8-5-9-15(11-10-14)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyYNEDTZQMKQKTRN-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.82
Rot. Bonds2

About 1-benzyl-4-methyl-1,4-diazepane

1-benzyl-4-methyl-1,4-diazepane (PubChem CID 763834) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-benzyl-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-benzyl-4-methyl-1,4-diazepane
PubChem CID763834
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-benzyl-4-methyl-1,4-diazepane
SMILESCN1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2/c1-14-8-5-9-15(11-10-14)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyYNEDTZQMKQKTRN-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-1,4-diazepane?
The IUPAC name of 1-benzyl-4-methyl-1,4-diazepane (CID 763834) is 1-benzyl-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-benzyl-4-methyl-1,4-diazepane?
The canonical SMILES for 1-benzyl-4-methyl-1,4-diazepane is CN1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methyl-1,4-diazepane?
The InChIKey is YNEDTZQMKQKTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-8-5-9-15(11-10-14)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3.
What are the key properties of 1-benzyl-4-methyl-1,4-diazepane?
1-benzyl-4-methyl-1,4-diazepane has a molecular weight of 204.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-1,4-diazepane is sourced from PubChem (CID 763834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).