8-deuterio-1,8-diazaspiro[3.5]nonane

C7H14N2 — CID 175836066

IUPAC8-deuterio-1,8-diazaspiro[3.5]nonane
SMILES[2H]N1CCCC2(CCN2)C1
InChIInChI=1S/C7H14N2/c1-2-7(3-5-9-7)6-8-4-1/h8-9H,1-6H2/i/hD
InChIKeyNGWVMUHZQFHIFX-DYCDLGHISA-N
MW127.21 g/mol
LogP0.10
Rot. Bonds

About 8-deuterio-1,8-diazaspiro[3.5]nonane

8-deuterio-1,8-diazaspiro[3.5]nonane (PubChem CID 175836066) has the molecular formula C7H14N2 and a molecular weight of 127.21 g/mol. Its IUPAC name is 8-deuterio-1,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name8-deuterio-1,8-diazaspiro[3.5]nonane
PubChem CID175836066
Molecular FormulaC7H14N2
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name8-deuterio-1,8-diazaspiro[3.5]nonane
SMILES[2H]N1CCCC2(CCN2)C1
InChIInChI=1S/C7H14N2/c1-2-7(3-5-9-7)6-8-4-1/h8-9H,1-6H2/i/hD
InChIKeyNGWVMUHZQFHIFX-DYCDLGHISA-N
XLogP0.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-diazaspiro[3.5]nonane;propane
CID 123647748
1-azaspiro[4.5]decane
CID 9092
1,4-diazaspiro[5.6]dodecane
CID 51346047
1,4,8-triazaspiro[5.5]undecane
CID 57350918
(4R)-1,7-diazaspiro[3.4]octane
CID 97135320
(4S)-1,7-diazaspiro[3.4]octane
CID 97135321
1,6-diazaspiro[3.3]heptane
CID 21263412
2-oxa-5-azaspiro[3.4]octane
CID 54759126
1,8-diazaspiro[4.5]decane;dihydrochloride
CID 50999337
4-azaspiro[2.5]octane
CID 20522183
1,6-diazaspiro[3.3]heptane;dihydrochloride
CID 175669593
1,9-diazaspiro[3.7]undecane
CID 118210185

Frequently Asked Questions

What is the IUPAC name of 8-deuterio-1,8-diazaspiro[3.5]nonane?
The IUPAC name of 8-deuterio-1,8-diazaspiro[3.5]nonane (CID 175836066) is 8-deuterio-1,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 8-deuterio-1,8-diazaspiro[3.5]nonane?
The canonical SMILES for 8-deuterio-1,8-diazaspiro[3.5]nonane is [2H]N1CCCC2(CCN2)C1.
What is the InChIKey of 8-deuterio-1,8-diazaspiro[3.5]nonane?
The InChIKey is NGWVMUHZQFHIFX-DYCDLGHISA-N. The full InChI is InChI=1S/C7H14N2/c1-2-7(3-5-9-7)6-8-4-1/h8-9H,1-6H2/i/hD.
What are the key properties of 8-deuterio-1,8-diazaspiro[3.5]nonane?
8-deuterio-1,8-diazaspiro[3.5]nonane has a molecular weight of 127.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-deuterio-1,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 175836066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).