(4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane

C10H18N2 — CID 155371528

IUPAC(4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane
SMILESCC(C)=C/C=C1\CNCN[C@H]1C
InChIInChI=1S/C10H18N2/c1-8(2)4-5-10-6-11-7-12-9(10)3/h4-5,9,11-12H,6-7H2,1-3H3/b10-5+/t9-/m0/s1
InChIKeyOGOUAXJPUZIDDC-UMYFRRCYSA-N
MW166.27 g/mol
LogP1.42
Rot. Bonds1

About (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane

(4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane (PubChem CID 155371528) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane.

Molecular Properties

Compound Name(4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane
PubChem CID155371528
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane
SMILESCC(C)=C/C=C1\CNCN[C@H]1C
InChIInChI=1S/C10H18N2/c1-8(2)4-5-10-6-11-7-12-9(10)3/h4-5,9,11-12H,6-7H2,1-3H3/b10-5+/t9-/m0/s1
InChIKeyOGOUAXJPUZIDDC-UMYFRRCYSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane?
The IUPAC name of (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane (CID 155371528) is (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane.
What is the SMILES notation for (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane?
The canonical SMILES for (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane is CC(C)=C/C=C1\CNCN[C@H]1C.
What is the InChIKey of (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane?
The InChIKey is OGOUAXJPUZIDDC-UMYFRRCYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)4-5-10-6-11-7-12-9(10)3/h4-5,9,11-12H,6-7H2,1-3H3/b10-5+/t9-/m0/s1.
What are the key properties of (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane?
(4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane has a molecular weight of 166.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5E)-4-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane is sourced from PubChem (CID 155371528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).