1,5,5-trimethyl-2-methylidene-1,3-diazepine

C9H14N2 — CID 91132846

IUPAC1,5,5-trimethyl-2-methylidene-1,3-diazepine
SMILESC=C1N=CC(C)(C)C=CN1C
InChIInChI=1S/C9H14N2/c1-8-10-7-9(2,3)5-6-11(8)4/h5-7H,1H2,2-4H3
InChIKeyWPAJRWIZXRNKCI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About 1,5,5-trimethyl-2-methylidene-1,3-diazepine

1,5,5-trimethyl-2-methylidene-1,3-diazepine (PubChem CID 91132846) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,5,5-trimethyl-2-methylidene-1,3-diazepine.

Molecular Properties

Compound Name1,5,5-trimethyl-2-methylidene-1,3-diazepine
PubChem CID91132846
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,5,5-trimethyl-2-methylidene-1,3-diazepine
SMILESC=C1N=CC(C)(C)C=CN1C
InChIInChI=1S/C9H14N2/c1-8-10-7-9(2,3)5-6-11(8)4/h5-7H,1H2,2-4H3
InChIKeyWPAJRWIZXRNKCI-UHFFFAOYSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-2-methylidene-1,3-diazepine?
The IUPAC name of 1,5,5-trimethyl-2-methylidene-1,3-diazepine (CID 91132846) is 1,5,5-trimethyl-2-methylidene-1,3-diazepine.
What is the SMILES notation for 1,5,5-trimethyl-2-methylidene-1,3-diazepine?
The canonical SMILES for 1,5,5-trimethyl-2-methylidene-1,3-diazepine is C=C1N=CC(C)(C)C=CN1C.
What is the InChIKey of 1,5,5-trimethyl-2-methylidene-1,3-diazepine?
The InChIKey is WPAJRWIZXRNKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-10-7-9(2,3)5-6-11(8)4/h5-7H,1H2,2-4H3.
What are the key properties of 1,5,5-trimethyl-2-methylidene-1,3-diazepine?
1,5,5-trimethyl-2-methylidene-1,3-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-2-methylidene-1,3-diazepine is sourced from PubChem (CID 91132846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).