4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine

C10H18N2 — CID 91274351

IUPAC4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine
SMILESC=C1N(C)C=CNCCC1(C)C
InChIInChI=1S/C10H18N2/c1-9-10(2,3)5-6-11-7-8-12(9)4/h7-8,11H,1,5-6H2,2-4H3
InChIKeyOINBKOZHVRIPHR-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.92
Rot. Bonds

About 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine

4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine (PubChem CID 91274351) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine.

Molecular Properties

Compound Name4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine
PubChem CID91274351
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine
SMILESC=C1N(C)C=CNCCC1(C)C
InChIInChI=1S/C10H18N2/c1-9-10(2,3)5-6-11-7-8-12(9)4/h7-8,11H,1,5-6H2,2-4H3
InChIKeyOINBKOZHVRIPHR-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine?
The IUPAC name of 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine (CID 91274351) is 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine.
What is the SMILES notation for 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine?
The canonical SMILES for 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine is C=C1N(C)C=CNCCC1(C)C.
What is the InChIKey of 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine?
The InChIKey is OINBKOZHVRIPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-10(2,3)5-6-11-7-8-12(9)4/h7-8,11H,1,5-6H2,2-4H3.
What are the key properties of 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine?
4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine has a molecular weight of 166.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-5-methylidene-7,8-dihydro-1H-1,4-diazocine is sourced from PubChem (CID 91274351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).