1,4-dimethyl-2,7-dimethylidene-1,4-diazepane

C9H16N2 — CID 58531718

IUPAC1,4-dimethyl-2,7-dimethylidene-1,4-diazepane
SMILESC=C1CCN(C)CC(=C)N1C
InChIInChI=1S/C9H16N2/c1-8-5-6-10(3)7-9(2)11(8)4/h1-2,5-7H2,3-4H3
InChIKeyRJTYIIHDMNIWHP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.28
Rot. Bonds

About 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane

1,4-dimethyl-2,7-dimethylidene-1,4-diazepane (PubChem CID 58531718) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane.

Molecular Properties

Compound Name1,4-dimethyl-2,7-dimethylidene-1,4-diazepane
PubChem CID58531718
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,4-dimethyl-2,7-dimethylidene-1,4-diazepane
SMILESC=C1CCN(C)CC(=C)N1C
InChIInChI=1S/C9H16N2/c1-8-5-6-10(3)7-9(2)11(8)4/h1-2,5-7H2,3-4H3
InChIKeyRJTYIIHDMNIWHP-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane?
The IUPAC name of 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane (CID 58531718) is 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane.
What is the SMILES notation for 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane?
The canonical SMILES for 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane is C=C1CCN(C)CC(=C)N1C.
What is the InChIKey of 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane?
The InChIKey is RJTYIIHDMNIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-6-10(3)7-9(2)11(8)4/h1-2,5-7H2,3-4H3.
What are the key properties of 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane?
1,4-dimethyl-2,7-dimethylidene-1,4-diazepane has a molecular weight of 152.24 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,7-dimethylidene-1,4-diazepane is sourced from PubChem (CID 58531718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).