3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine

C14H22N2 — CID 79908305

IUPAC3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCCC1CN(C(C)C)c2ccccc2CN1
InChIInChI=1S/C14H22N2/c1-4-13-10-16(11(2)3)14-8-6-5-7-12(14)9-15-13/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyOEZWHMLEIRZODR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.78
Rot. Bonds2

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

3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 79908305) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID79908305
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCCC1CN(C(C)C)c2ccccc2CN1
InChIInChI=1S/C14H22N2/c1-4-13-10-16(11(2)3)14-8-6-5-7-12(14)9-15-13/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyOEZWHMLEIRZODR-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-pentan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 107888762
1-pentan-2-yl-3-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 107888758
1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 116500032
1-[(4-bromophenyl)methyl]-3-ethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908034
1-(3-methylbutyl)-3-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907101
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908301
1-(3,3-dimethylbutyl)-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79906504
1-[2-(2-methylpropoxy)ethyl]-3-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 106458901
1-propan-2-ylspiro[4,5-dihydro-2H-1,4-benzodiazepine-3,1'-cyclohexane]
CID 79909895
1-(2-cyclopropylethyl)-3-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907406
1-hexyl-3-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907717
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 79908305) is 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine is CCC1CN(C(C)C)c2ccccc2CN1.
What is the InChIKey of 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is OEZWHMLEIRZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-13-10-16(11(2)3)14-8-6-5-7-12(14)9-15-13/h5-8,11,13,15H,4,9-10H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 218.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 79908305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).