2-methylidene-azacyclotridecane

C13H25N — CID 118553254

IUPAC2-methylidene-azacyclotridecane
SMILESC=C1CCCCCCCCCCCN1
InChIInChI=1S/C13H25N/c1-13-11-9-7-5-3-2-4-6-8-10-12-14-13/h14H,1-12H2
InChIKeyWPUJRGLAQROKAW-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.00
Rot. Bonds

About 2-methylidene-azacyclotridecane

2-methylidene-azacyclotridecane (PubChem CID 118553254) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methylidene-azacyclotridecane.

Molecular Properties

Compound Name2-methylidene-azacyclotridecane
PubChem CID118553254
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methylidene-azacyclotridecane
SMILESC=C1CCCCCCCCCCCN1
InChIInChI=1S/C13H25N/c1-13-11-9-7-5-3-2-4-6-8-10-12-14-13/h14H,1-12H2
InChIKeyWPUJRGLAQROKAW-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-azacyclotridecane?
The IUPAC name of 2-methylidene-azacyclotridecane (CID 118553254) is 2-methylidene-azacyclotridecane.
What is the SMILES notation for 2-methylidene-azacyclotridecane?
The canonical SMILES for 2-methylidene-azacyclotridecane is C=C1CCCCCCCCCCCN1.
What is the InChIKey of 2-methylidene-azacyclotridecane?
The InChIKey is WPUJRGLAQROKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13-11-9-7-5-3-2-4-6-8-10-12-14-13/h14H,1-12H2.
What are the key properties of 2-methylidene-azacyclotridecane?
2-methylidene-azacyclotridecane has a molecular weight of 195.35 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-azacyclotridecane is sourced from PubChem (CID 118553254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).