4-cycloheptyl-1,4-diazaspiro[5.5]undecane

C16H30N2 — CID 64923858

IUPAC4-cycloheptyl-1,4-diazaspiro[5.5]undecane
SMILESC1CCCC(N2CCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-2-5-9-15(8-4-1)18-13-12-17-16(14-18)10-6-3-7-11-16/h15,17H,1-14H2
InChIKeyUFHIJVSYIDNWPQ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.32
Rot. Bonds1

About 4-cycloheptyl-1,4-diazaspiro[5.5]undecane

4-cycloheptyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64923858) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-cycloheptyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-cycloheptyl-1,4-diazaspiro[5.5]undecane
PubChem CID64923858
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-cycloheptyl-1,4-diazaspiro[5.5]undecane
SMILESC1CCCC(N2CCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-2-5-9-15(8-4-1)18-13-12-17-16(14-18)10-6-3-7-11-16/h15,17H,1-14H2
InChIKeyUFHIJVSYIDNWPQ-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-cycloheptyl-1,4-diazaspiro[5.5]undecane (CID 64923858) is 4-cycloheptyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-cycloheptyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-cycloheptyl-1,4-diazaspiro[5.5]undecane is C1CCCC(N2CCNC3(CCCCC3)C2)CC1.
What is the InChIKey of 4-cycloheptyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is UFHIJVSYIDNWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-5-9-15(8-4-1)18-13-12-17-16(14-18)10-6-3-7-11-16/h15,17H,1-14H2.
What are the key properties of 4-cycloheptyl-1,4-diazaspiro[5.5]undecane?
4-cycloheptyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 250.43 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64923858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).