11-pentyl-7,11-diazaspiro[5.6]dodecane

C15H30N2 — CID 64859042

IUPAC11-pentyl-7,11-diazaspiro[5.6]dodecane
SMILESCCCCCN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-2-3-7-12-17-13-8-11-16-15(14-17)9-5-4-6-10-15/h16H,2-14H2,1H3
InChIKeyDTKSURXGVGISMJ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds4

About 11-pentyl-7,11-diazaspiro[5.6]dodecane

11-pentyl-7,11-diazaspiro[5.6]dodecane (PubChem CID 64859042) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 11-pentyl-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-pentyl-7,11-diazaspiro[5.6]dodecane
PubChem CID64859042
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name11-pentyl-7,11-diazaspiro[5.6]dodecane
SMILESCCCCCN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-2-3-7-12-17-13-8-11-16-15(14-17)9-5-4-6-10-15/h16H,2-14H2,1H3
InChIKeyDTKSURXGVGISMJ-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-pentyl-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-pentyl-7,11-diazaspiro[5.6]dodecane (CID 64859042) is 11-pentyl-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-pentyl-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-pentyl-7,11-diazaspiro[5.6]dodecane is CCCCCN1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-pentyl-7,11-diazaspiro[5.6]dodecane?
The InChIKey is DTKSURXGVGISMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-3-7-12-17-13-8-11-16-15(14-17)9-5-4-6-10-15/h16H,2-14H2,1H3.
What are the key properties of 11-pentyl-7,11-diazaspiro[5.6]dodecane?
11-pentyl-7,11-diazaspiro[5.6]dodecane has a molecular weight of 238.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pentyl-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64859042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).