1-benzyl-7-methyl-1,4-diazepane

C13H20N2 — CID 56828058

IUPAC1-benzyl-7-methyl-1,4-diazepane
SMILESCC1CCNCCN1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-12-7-8-14-9-10-15(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyRGKDAJPPEVSFBH-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.87
Rot. Bonds2

About 1-benzyl-7-methyl-1,4-diazepane

1-benzyl-7-methyl-1,4-diazepane (PubChem CID 56828058) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-benzyl-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-benzyl-7-methyl-1,4-diazepane
PubChem CID56828058
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-benzyl-7-methyl-1,4-diazepane
SMILESCC1CCNCCN1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-12-7-8-14-9-10-15(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyRGKDAJPPEVSFBH-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64869395
1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
CID 64870777
1-[(4-chloro-3-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 107888732
1-(2,2-difluoro-2-phenylethyl)-7-methyl-1,4-diazepane
CID 116790833
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
4-benzyl-5-methyl-1-piperidin-3-yl-1,4-diazepane
CID 130892825
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
(2S)-1-benzyl-2-bromopiperazine
CID 150249323
1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
CID 69047324
1-benzyl-2,5-dimethylpiperidine
CID 73200484
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
1-benzyl-3,7-dimethyl-3-phenyl-1,4-diazepane
CID 64870439

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methyl-1,4-diazepane?
The IUPAC name of 1-benzyl-7-methyl-1,4-diazepane (CID 56828058) is 1-benzyl-7-methyl-1,4-diazepane.
What is the SMILES notation for 1-benzyl-7-methyl-1,4-diazepane?
The canonical SMILES for 1-benzyl-7-methyl-1,4-diazepane is CC1CCNCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-methyl-1,4-diazepane?
The InChIKey is RGKDAJPPEVSFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-12-7-8-14-9-10-15(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 1-benzyl-7-methyl-1,4-diazepane?
1-benzyl-7-methyl-1,4-diazepane has a molecular weight of 204.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methyl-1,4-diazepane is sourced from PubChem (CID 56828058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).