1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane

C15H20N2O — CID 82664723

IUPAC1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane
SMILESCc1cccc2c(C3CCNCCN3C)coc12
InChIInChI=1S/C15H20N2O/c1-11-4-3-5-12-13(10-18-15(11)12)14-6-7-16-8-9-17(14)2/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyLDAYFQQZSBHFSR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.71
Rot. Bonds1

About 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane

1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane (PubChem CID 82664723) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane
PubChem CID82664723
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane
SMILESCc1cccc2c(C3CCNCCN3C)coc12
InChIInChI=1S/C15H20N2O/c1-11-4-3-5-12-13(10-18-15(11)12)14-6-7-16-8-9-17(14)2/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyLDAYFQQZSBHFSR-UHFFFAOYSA-N
XLogP2.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
CID 82665866
7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
CID 130117727
1,3,7-trimethyl-2-piperidin-4-ylindole
CID 84630479
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one
CID 21471825
1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84636732
7-(1,4-dimethylindol-3-yl)-1,4-oxazepane
CID 82664727
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
(3,5-dimethylphenyl)-[7-(2,3-dimethylphenyl)-1,4-diazepan-1-yl]methanone
CID 54013186
7-methyl-2-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 79601557

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane?
The IUPAC name of 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane (CID 82664723) is 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane?
The canonical SMILES for 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane is Cc1cccc2c(C3CCNCCN3C)coc12.
What is the InChIKey of 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane?
The InChIKey is LDAYFQQZSBHFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-4-3-5-12-13(10-18-15(11)12)14-6-7-16-8-9-17(14)2/h3-5,10,14,16H,6-9H2,1-2H3.
What are the key properties of 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane?
1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane has a molecular weight of 244.34 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane is sourced from PubChem (CID 82664723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).