4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine

C14H22N2 — CID 84623178

IUPAC4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCC(C)c1ccc2c(c1)N(C)C(C)CCN2
InChIInChI=1S/C14H22N2/c1-10(2)12-5-6-13-14(9-12)16(4)11(3)7-8-15-13/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyWYFUIDYKFMFYSE-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.45
Rot. Bonds1

About 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine

4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 84623178) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID84623178
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCC(C)c1ccc2c(c1)N(C)C(C)CCN2
InChIInChI=1S/C14H22N2/c1-10(2)12-5-6-13-14(9-12)16(4)11(3)7-8-15-13/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyWYFUIDYKFMFYSE-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-7-propan-2-yl-3,4-dihydro-2H-quinoline
CID 141033194
3-methyl-5-propan-2-yl-1,2-dihydrobenzimidazole
CID 162748632
2,4-dimethyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84620450
6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275604
2-ethyl-4-methyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623191
2-(6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl)ethanol
CID 84623376
1,4-dimethyl-6-propan-2-yl-2,3-dihydroquinoxaline
CID 58398104
1,3-dimethyl-5-propan-2-yl-2H-benzimidazole
CID 134492411
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973
(2S)-1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpiperazine
CID 138530358
1-(1,2-dimethyl-2,3-dihydroindol-6-yl)ethanamine
CID 117203581
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 58125585

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 84623178) is 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine is CC(C)c1ccc2c(c1)N(C)C(C)CCN2.
What is the InChIKey of 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is WYFUIDYKFMFYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)12-5-6-13-14(9-12)16(4)11(3)7-8-15-13/h5-6,9-11,15H,7-8H2,1-4H3.
What are the key properties of 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 218.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 84623178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).