10-but-3-ynyl-6,10-diazaspiro[4.6]undecane

C13H22N2 — CID 64949036

IUPAC10-but-3-ynyl-6,10-diazaspiro[4.6]undecane
SMILESC#CCCN1CCCNC2(CCCC2)C1
InChIInChI=1S/C13H22N2/c1-2-3-10-15-11-6-9-14-13(12-15)7-4-5-8-13/h1,14H,3-12H2
InChIKeyRGAVEMWBMBBCSH-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.62
Rot. Bonds2

About 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane

10-but-3-ynyl-6,10-diazaspiro[4.6]undecane (PubChem CID 64949036) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-but-3-ynyl-6,10-diazaspiro[4.6]undecane
PubChem CID64949036
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name10-but-3-ynyl-6,10-diazaspiro[4.6]undecane
SMILESC#CCCN1CCCNC2(CCCC2)C1
InChIInChI=1S/C13H22N2/c1-2-3-10-15-11-6-9-14-13(12-15)7-4-5-8-13/h1,14H,3-12H2
InChIKeyRGAVEMWBMBBCSH-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane (CID 64949036) is 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane is C#CCCN1CCCNC2(CCCC2)C1.
What is the InChIKey of 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is RGAVEMWBMBBCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-10-15-11-6-9-14-13(12-15)7-4-5-8-13/h1,14H,3-12H2.
What are the key properties of 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane?
10-but-3-ynyl-6,10-diazaspiro[4.6]undecane has a molecular weight of 206.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-but-3-ynyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64949036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).