8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]

C21H36N4 — CID 59973220

IUPAC8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]
SMILESC1CCN2C(C1)C1CCCCN1C21N2CCCCC2C2CCCCN21
InChIInChI=1S/C21H36N4/c1-5-13-22-17(9-1)18-10-2-6-14-23(18)21(22)24-15-7-3-11-19(24)20-12-4-8-16-25(20)21/h17-20H,1-16H2
InChIKeyKAIAAEKGAGAJCT-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.04
Rot. Bonds

About 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]

8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane] (PubChem CID 59973220) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane].

Molecular Properties

Compound Name8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]
PubChem CID59973220
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Name8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]
SMILESC1CCN2C(C1)C1CCCCN1C21N2CCCCC2C2CCCCN21
InChIInChI=1S/C21H36N4/c1-5-13-22-17(9-1)18-10-2-6-14-23(18)21(22)24-15-7-3-11-19(24)20-12-4-8-16-25(20)21/h17-20H,1-16H2
InChIKeyKAIAAEKGAGAJCT-UHFFFAOYSA-N
XLogP3.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82651829
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CID 3056344
1-hydroxy-2-(1-hydroxypiperidin-2-yl)piperidine
CID 4961560
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one
CID 6430124
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
CID 24805328
(1S,2S,3R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 11183076
2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine
CID 63219990

Frequently Asked Questions

What is the IUPAC name of 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]?
The IUPAC name of 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane] (CID 59973220) is 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane].
What is the SMILES notation for 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]?
The canonical SMILES for 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane] is C1CCN2C(C1)C1CCCCN1C21N2CCCCC2C2CCCCN21.
What is the InChIKey of 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]?
The InChIKey is KAIAAEKGAGAJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-5-13-22-17(9-1)18-10-2-6-14-23(18)21(22)24-15-7-3-11-19(24)20-12-4-8-16-25(20)21/h17-20H,1-16H2.
What are the key properties of 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]?
8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane] has a molecular weight of 344.55 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8'-spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane] is sourced from PubChem (CID 59973220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).