(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane

C9H17N — CID 158540450

IUPAC(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane
SMILESCC[C@@H]1CCC2(CC2)N1C
InChIInChI=1S/C9H17N/c1-3-8-4-5-9(6-7-9)10(8)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyHOLIHVHDRMNTPB-MRVPVSSYSA-N
MW139.24 g/mol
LogP2.02
Rot. Bonds1

About (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane

(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane (PubChem CID 158540450) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane
PubChem CID158540450
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane
SMILESCC[C@@H]1CCC2(CC2)N1C
InChIInChI=1S/C9H17N/c1-3-8-4-5-9(6-7-9)10(8)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyHOLIHVHDRMNTPB-MRVPVSSYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile
CID 170607697
(2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
CID 97475211
4,5-dimethyl-4-azaspiro[2.5]octane
CID 118971450
2,7-diethyl-1-methylazepane
CID 146499185
(6S)-6-ethyl-5-iodo-5-azaspiro[2.5]octane
CID 167229580
2-(methoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 133140590
4,5-dimethyl-4-azaspiro[2.5]octane;ethane
CID 178026698
CID 163252872
CID 163252872
(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
CID 97476059
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one
CID 10822888

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane?
The IUPAC name of (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane (CID 158540450) is (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane.
What is the SMILES notation for (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane?
The canonical SMILES for (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane is CC[C@@H]1CCC2(CC2)N1C.
What is the InChIKey of (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane?
The InChIKey is HOLIHVHDRMNTPB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8-4-5-9(6-7-9)10(8)2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane?
(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane has a molecular weight of 139.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane is sourced from PubChem (CID 158540450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).