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

C7H14N2 — CID 55299106

IUPAC2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
SMILESCC1=NCC(C)NCC1
InChIInChI=1S/C7H14N2/c1-6-3-4-8-7(2)5-9-6/h7-8H,3-5H2,1-2H3
InChIKeyGOYLKYWNYZWEQT-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.83
Rot. Bonds

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

2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine (PubChem CID 55299106) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine.

Molecular Properties

Compound Name2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
PubChem CID55299106
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
SMILESCC1=NCC(C)NCC1
InChIInChI=1S/C7H14N2/c1-6-3-4-8-7(2)5-9-6/h7-8H,3-5H2,1-2H3
InChIKeyGOYLKYWNYZWEQT-UHFFFAOYSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
CID 12726071
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CID 91030632
2-methyl-4-methylidenepiperidine
CID 75088783
6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide
CID 90828488
(2R)-2-methylpyrrolidin-3-one
CID 67533631
2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine
CID 137286690
(4R)-2,4-dimethyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 124505716
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
5-bromo-7-methylazepan-4-one
CID 86686063
(2R)-2,4-dimethyl-1,4-diazepan-5-one
CID 129371680
carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 159919464
6-methyl-3a,4,7,7a-tetrahydro-[1,3]oxathiolo[4,5-c]pyridine
CID 91493013

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine?
The IUPAC name of 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine (CID 55299106) is 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine.
What is the SMILES notation for 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine?
The canonical SMILES for 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine is CC1=NCC(C)NCC1.
What is the InChIKey of 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine?
The InChIKey is GOYLKYWNYZWEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-3-4-8-7(2)5-9-6/h7-8H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine?
2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine has a molecular weight of 126.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine is sourced from PubChem (CID 55299106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).