7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole

C15H23N3 — CID 113277962

IUPAC7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCN1CCCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H23N3/c1-17-8-3-9-18(11-10-17)12-14-5-2-4-13-6-7-16-15(13)14/h2,4-5,16H,3,6-12H2,1H3
InChIKeyBKEDTKFAVRGXDJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.79
Rot. Bonds2

About 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole

7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 113277962) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID113277962
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCN1CCCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H23N3/c1-17-8-3-9-18(11-10-17)12-14-5-2-4-13-6-7-16-15(13)14/h2,4-5,16H,3,6-12H2,1H3
InChIKeyBKEDTKFAVRGXDJ-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 114327008
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
CID 120856919
7-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120847704

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole (CID 113277962) is 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole is CN1CCCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is BKEDTKFAVRGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-8-3-9-18(11-10-17)12-14-5-2-4-13-6-7-16-15(13)14/h2,4-5,16H,3,6-12H2,1H3.
What are the key properties of 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 245.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 113277962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).