2,7-diethyl-3-methyl-3,4-dihydrodiazepine

C10H18N2 — CID 134257690

IUPAC2,7-diethyl-3-methyl-3,4-dihydrodiazepine
SMILESCCC1=NN(CC)C(C)CC=C1
InChIInChI=1S/C10H18N2/c1-4-10-8-6-7-9(3)12(5-2)11-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyKPZBCCVYXTYDPL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds2

About 2,7-diethyl-3-methyl-3,4-dihydrodiazepine

2,7-diethyl-3-methyl-3,4-dihydrodiazepine (PubChem CID 134257690) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,7-diethyl-3-methyl-3,4-dihydrodiazepine.

Molecular Properties

Compound Name2,7-diethyl-3-methyl-3,4-dihydrodiazepine
PubChem CID134257690
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,7-diethyl-3-methyl-3,4-dihydrodiazepine
SMILESCCC1=NN(CC)C(C)CC=C1
InChIInChI=1S/C10H18N2/c1-4-10-8-6-7-9(3)12(5-2)11-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyKPZBCCVYXTYDPL-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-3-methyl-3,4-dihydrodiazepine?
The IUPAC name of 2,7-diethyl-3-methyl-3,4-dihydrodiazepine (CID 134257690) is 2,7-diethyl-3-methyl-3,4-dihydrodiazepine.
What is the SMILES notation for 2,7-diethyl-3-methyl-3,4-dihydrodiazepine?
The canonical SMILES for 2,7-diethyl-3-methyl-3,4-dihydrodiazepine is CCC1=NN(CC)C(C)CC=C1.
What is the InChIKey of 2,7-diethyl-3-methyl-3,4-dihydrodiazepine?
The InChIKey is KPZBCCVYXTYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10-8-6-7-9(3)12(5-2)11-10/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2,7-diethyl-3-methyl-3,4-dihydrodiazepine?
2,7-diethyl-3-methyl-3,4-dihydrodiazepine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-3-methyl-3,4-dihydrodiazepine is sourced from PubChem (CID 134257690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).