6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

C13H20N2 — CID 84620461

IUPAC6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCCc1cccc2c1N(C)CC(C)CN2
InChIInChI=1S/C13H20N2/c1-4-11-6-5-7-12-13(11)15(3)9-10(2)8-14-12/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeySBHCLNVSXFMGMO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.75
Rot. Bonds1

About 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 84620461) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID84620461
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCCc1cccc2c1N(C)CC(C)CN2
InChIInChI=1S/C13H20N2/c1-4-11-6-5-7-12-13(11)15(3)9-10(2)8-14-12/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeySBHCLNVSXFMGMO-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620474
7-chloro-3,5,6-trimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84624783
(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
CID 115096491
(3R)-1,3,6-trimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 138981432
10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626705
8-(hydroxymethyl)-1-methyl-3,4-dihydroquinoxalin-2-one
CID 115095925
(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 130741224
1-(6-ethyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 84623033
3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623218
1-(2,6-diethylphenyl)piperidine
CID 10608826
methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate
CID 115096466
2-amino-1-(6-ethyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 84627549

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 84620461) is 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is CCc1cccc2c1N(C)CC(C)CN2.
What is the InChIKey of 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is SBHCLNVSXFMGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-11-6-5-7-12-13(11)15(3)9-10(2)8-14-12/h5-7,10,14H,4,8-9H2,1-3H3.
What are the key properties of 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 204.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 84620461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).