(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane

C12H23N — CID 130224564

IUPAC(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane
SMILESCC[C@@H]1N(C)C[C@@H](C)CC12CCC2
InChIInChI=1S/C12H23N/c1-4-11-12(6-5-7-12)8-10(2)9-13(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyAMAWEECVZOZBBM-QWRGUYRKSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds1

About (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane

(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane (PubChem CID 130224564) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane
PubChem CID130224564
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane
SMILESCC[C@@H]1N(C)C[C@@H](C)CC12CCC2
InChIInChI=1S/C12H23N/c1-4-11-12(6-5-7-12)8-10(2)9-13(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyAMAWEECVZOZBBM-QWRGUYRKSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methyl-8-propyl-8-azaspiro[4.5]decane
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(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine
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CID 177319194

Frequently Asked Questions

What is the IUPAC name of (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane?
The IUPAC name of (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane (CID 130224564) is (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane.
What is the SMILES notation for (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane?
The canonical SMILES for (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane is CC[C@@H]1N(C)C[C@@H](C)CC12CCC2.
What is the InChIKey of (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane?
The InChIKey is AMAWEECVZOZBBM-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N/c1-4-11-12(6-5-7-12)8-10(2)9-13(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane?
(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane has a molecular weight of 181.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane is sourced from PubChem (CID 130224564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).