1-methyl-2-methylidene-1,4-diazepane

C7H14N2 — CID 90244936

IUPAC1-methyl-2-methylidene-1,4-diazepane
SMILESC=C1CNCCCN1C
InChIInChI=1S/C7H14N2/c1-7-6-8-4-3-5-9(7)2/h8H,1,3-6H2,2H3
InChIKeyNEUCQMXEYGAOCZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.43
Rot. Bonds

About 1-methyl-2-methylidene-1,4-diazepane

1-methyl-2-methylidene-1,4-diazepane (PubChem CID 90244936) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methyl-2-methylidene-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-2-methylidene-1,4-diazepane
PubChem CID90244936
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-methyl-2-methylidene-1,4-diazepane
SMILESC=C1CNCCCN1C
InChIInChI=1S/C7H14N2/c1-7-6-8-4-3-5-9(7)2/h8H,1,3-6H2,2H3
InChIKeyNEUCQMXEYGAOCZ-UHFFFAOYSA-N
XLogP0.43
TPSA15.27 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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-1,4-diazepane?
The IUPAC name of 1-methyl-2-methylidene-1,4-diazepane (CID 90244936) is 1-methyl-2-methylidene-1,4-diazepane.
What is the SMILES notation for 1-methyl-2-methylidene-1,4-diazepane?
The canonical SMILES for 1-methyl-2-methylidene-1,4-diazepane is C=C1CNCCCN1C.
What is the InChIKey of 1-methyl-2-methylidene-1,4-diazepane?
The InChIKey is NEUCQMXEYGAOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7-6-8-4-3-5-9(7)2/h8H,1,3-6H2,2H3.
What are the key properties of 1-methyl-2-methylidene-1,4-diazepane?
1-methyl-2-methylidene-1,4-diazepane has a molecular weight of 126.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-1,4-diazepane is sourced from PubChem (CID 90244936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).