2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine

C8H16N2 — CID 174301179

IUPAC2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine
SMILESCC1=CN(C)NC(C)CC1
InChIInChI=1S/C8H16N2/c1-7-4-5-8(2)9-10(3)6-7/h6,8-9H,4-5H2,1-3H3
InChIKeyJGMGJYMWRBQYHQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.51
Rot. Bonds

About 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine

2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine (PubChem CID 174301179) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine.

Molecular Properties

Compound Name2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine
PubChem CID174301179
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine
SMILESCC1=CN(C)NC(C)CC1
InChIInChI=1S/C8H16N2/c1-7-4-5-8(2)9-10(3)6-7/h6,8-9H,4-5H2,1-3H3
InChIKeyJGMGJYMWRBQYHQ-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine?
The IUPAC name of 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine (CID 174301179) is 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine.
What is the SMILES notation for 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine?
The canonical SMILES for 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine is CC1=CN(C)NC(C)CC1.
What is the InChIKey of 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine?
The InChIKey is JGMGJYMWRBQYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-4-5-8(2)9-10(3)6-7/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine?
2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine has a molecular weight of 140.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-1,5,6,7-tetrahydrodiazepine is sourced from PubChem (CID 174301179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).