9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane

C9H17N3 — CID 134401379

IUPAC9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane
SMILESC=C1CNC2(CCCN(C)C2)N1
InChIInChI=1S/C9H17N3/c1-8-6-10-9(11-8)4-3-5-12(2)7-9/h10-11H,1,3-7H2,2H3
InChIKeyZKIIRKUOBNLTAB-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.11
Rot. Bonds

About 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane

9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane (PubChem CID 134401379) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane.

Molecular Properties

Compound Name9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane
PubChem CID134401379
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane
SMILESC=C1CNC2(CCCN(C)C2)N1
InChIInChI=1S/C9H17N3/c1-8-6-10-9(11-8)4-3-5-12(2)7-9/h10-11H,1,3-7H2,2H3
InChIKeyZKIIRKUOBNLTAB-UHFFFAOYSA-N
XLogP0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane?
The IUPAC name of 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane (CID 134401379) is 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane.
What is the SMILES notation for 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane?
The canonical SMILES for 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane is C=C1CNC2(CCCN(C)C2)N1.
What is the InChIKey of 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane?
The InChIKey is ZKIIRKUOBNLTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-6-10-9(11-8)4-3-5-12(2)7-9/h10-11H,1,3-7H2,2H3.
What are the key properties of 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane?
9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane has a molecular weight of 167.26 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-methylidene-1,4,9-triazaspiro[4.5]decane is sourced from PubChem (CID 134401379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).