3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane

C20H36N2 — CID 123835848

IUPAC3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
SMILESC1CCC2(C1)CCCC(C1CCC3(CCNCNC3)C1)CC2
InChIInChI=1S/C20H36N2/c1-2-8-19(7-1)9-3-4-17(5-10-19)18-6-11-20(14-18)12-13-21-16-22-15-20/h17-18,21-22H,1-16H2
InChIKeyUYNDDAYSMUGBFS-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.45
Rot. Bonds1

About 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane

3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane (PubChem CID 123835848) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
PubChem CID123835848
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
SMILESC1CCC2(C1)CCCC(C1CCC3(CCNCNC3)C1)CC2
InChIInChI=1S/C20H36N2/c1-2-8-19(7-1)9-3-4-17(5-10-19)18-6-11-20(14-18)12-13-21-16-22-15-20/h17-18,21-22H,1-16H2
InChIKeyUYNDDAYSMUGBFS-UHFFFAOYSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10-cyclopropyl-3-azaspiro[5.5]undecane
CID 64623012
(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride
CID 131865526
8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane
CID 167142150
(5R,8S)-2-azaspiro[4.4]nonan-8-amine
CID 97168804
2-azaspiro[4.4]nonan-8-amine
CID 71649078
10-spiro[5.5]undecan-4-yl-1,4-diazaspiro[5.5]undecane
CID 138751441
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
CID 123272406
11-azadispiro[4.2.58.25]pentadecane
CID 114820262
ethane;8-ethyl-2-azaspiro[4.6]undecane
CID 168995957
[(5R,8R)-2-azaspiro[4.4]nonan-8-yl]methanol
CID 97169518
[(5R,8S)-2-azaspiro[4.4]nonan-8-yl]methanamine
CID 97168977

Frequently Asked Questions

What is the IUPAC name of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
The IUPAC name of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane (CID 123835848) is 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane.
What is the SMILES notation for 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
The canonical SMILES for 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane is C1CCC2(C1)CCCC(C1CCC3(CCNCNC3)C1)CC2.
What is the InChIKey of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
The InChIKey is UYNDDAYSMUGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-8-19(7-1)9-3-4-17(5-10-19)18-6-11-20(14-18)12-13-21-16-22-15-20/h17-18,21-22H,1-16H2.
What are the key properties of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane has a molecular weight of 304.52 g/mol, XLogP of 4.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane is sourced from PubChem (CID 123835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).