1-tert-butyl-4-methylidene-1,3-diazinane

C9H18N2 — CID 161023384

IUPAC1-tert-butyl-4-methylidene-1,3-diazinane
SMILESC=C1CCN(C(C)(C)C)CN1
InChIInChI=1S/C9H18N2/c1-8-5-6-11(7-10-8)9(2,3)4/h10H,1,5-7H2,2-4H3
InChIKeyJBEZJZXMMGVHMO-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.55
Rot. Bonds

About 1-tert-butyl-4-methylidene-1,3-diazinane

1-tert-butyl-4-methylidene-1,3-diazinane (PubChem CID 161023384) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-tert-butyl-4-methylidene-1,3-diazinane.

Molecular Properties

Compound Name1-tert-butyl-4-methylidene-1,3-diazinane
PubChem CID161023384
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-tert-butyl-4-methylidene-1,3-diazinane
SMILESC=C1CCN(C(C)(C)C)CN1
InChIInChI=1S/C9H18N2/c1-8-5-6-11(7-10-8)9(2,3)4/h10H,1,5-7H2,2-4H3
InChIKeyJBEZJZXMMGVHMO-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylidene-1,3-diazinane?
The IUPAC name of 1-tert-butyl-4-methylidene-1,3-diazinane (CID 161023384) is 1-tert-butyl-4-methylidene-1,3-diazinane.
What is the SMILES notation for 1-tert-butyl-4-methylidene-1,3-diazinane?
The canonical SMILES for 1-tert-butyl-4-methylidene-1,3-diazinane is C=C1CCN(C(C)(C)C)CN1.
What is the InChIKey of 1-tert-butyl-4-methylidene-1,3-diazinane?
The InChIKey is JBEZJZXMMGVHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-5-6-11(7-10-8)9(2,3)4/h10H,1,5-7H2,2-4H3.
What are the key properties of 1-tert-butyl-4-methylidene-1,3-diazinane?
1-tert-butyl-4-methylidene-1,3-diazinane has a molecular weight of 154.26 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylidene-1,3-diazinane is sourced from PubChem (CID 161023384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).