1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine

C7H14N2 — CID 59417616

IUPAC1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine
SMILESCC1=NCCCCN1C
InChIInChI=1S/C7H14N2/c1-7-8-5-3-4-6-9(7)2/h3-6H2,1-2H3
InChIKeyUQWDKVIAZOQSRV-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.13
Rot. Bonds

About 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine

1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine (PubChem CID 59417616) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine.

Molecular Properties

Compound Name1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine
PubChem CID59417616
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine
SMILESCC1=NCCCCN1C
InChIInChI=1S/C7H14N2/c1-7-8-5-3-4-6-9(7)2/h3-6H2,1-2H3
InChIKeyUQWDKVIAZOQSRV-UHFFFAOYSA-N
XLogP1.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine?
The IUPAC name of 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine (CID 59417616) is 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine.
What is the SMILES notation for 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine?
The canonical SMILES for 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine is CC1=NCCCCN1C.
What is the InChIKey of 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine?
The InChIKey is UQWDKVIAZOQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7-8-5-3-4-6-9(7)2/h3-6H2,1-2H3.
What are the key properties of 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine?
1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine has a molecular weight of 126.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5,6,7-tetrahydro-1,3-diazepine is sourced from PubChem (CID 59417616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).