(3S)-3-methyl-1,4-diazaspiro[4.4]nonane

C8H16N2 — CID 59883923

IUPAC(3S)-3-methyl-1,4-diazaspiro[4.4]nonane
SMILESC[C@H]1CNC2(CCCC2)N1
InChIInChI=1S/C8H16N2/c1-7-6-9-8(10-7)4-2-3-5-8/h7,9-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyPECRVUZJCJBXMH-ZETCQYMHSA-N
MW140.23 g/mol
LogP0.84
Rot. Bonds

About (3S)-3-methyl-1,4-diazaspiro[4.4]nonane

(3S)-3-methyl-1,4-diazaspiro[4.4]nonane (PubChem CID 59883923) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3S)-3-methyl-1,4-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S)-3-methyl-1,4-diazaspiro[4.4]nonane
PubChem CID59883923
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3S)-3-methyl-1,4-diazaspiro[4.4]nonane
SMILESC[C@H]1CNC2(CCCC2)N1
InChIInChI=1S/C8H16N2/c1-7-6-9-8(10-7)4-2-3-5-8/h7,9-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyPECRVUZJCJBXMH-ZETCQYMHSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,4-diazaspiro[4.4]nonane?
The IUPAC name of (3S)-3-methyl-1,4-diazaspiro[4.4]nonane (CID 59883923) is (3S)-3-methyl-1,4-diazaspiro[4.4]nonane.
What is the SMILES notation for (3S)-3-methyl-1,4-diazaspiro[4.4]nonane?
The canonical SMILES for (3S)-3-methyl-1,4-diazaspiro[4.4]nonane is C[C@H]1CNC2(CCCC2)N1.
What is the InChIKey of (3S)-3-methyl-1,4-diazaspiro[4.4]nonane?
The InChIKey is PECRVUZJCJBXMH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-6-9-8(10-7)4-2-3-5-8/h7,9-10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-1,4-diazaspiro[4.4]nonane?
(3S)-3-methyl-1,4-diazaspiro[4.4]nonane has a molecular weight of 140.23 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,4-diazaspiro[4.4]nonane is sourced from PubChem (CID 59883923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).