7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine

C9H14N2 — CID 22959165

IUPAC7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine
SMILESC=C1CC=CN=C(C(C)C)N1
InChIInChI=1S/C9H14N2/c1-7(2)9-10-6-4-5-8(3)11-9/h4,6-7H,3,5H2,1-2H3,(H,10,11)
InChIKeyPEVKIQWNUWMNID-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.06
Rot. Bonds1

About 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine

7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine (PubChem CID 22959165) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine.

Molecular Properties

Compound Name7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine
PubChem CID22959165
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine
SMILESC=C1CC=CN=C(C(C)C)N1
InChIInChI=1S/C9H14N2/c1-7(2)9-10-6-4-5-8(3)11-9/h4,6-7H,3,5H2,1-2H3,(H,10,11)
InChIKeyPEVKIQWNUWMNID-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine?
The IUPAC name of 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine (CID 22959165) is 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine.
What is the SMILES notation for 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine?
The canonical SMILES for 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine is C=C1CC=CN=C(C(C)C)N1.
What is the InChIKey of 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine?
The InChIKey is PEVKIQWNUWMNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-10-6-4-5-8(3)11-9/h4,6-7H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine?
7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine is sourced from PubChem (CID 22959165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).