(7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane

C9H17N — CID 167170501

IUPAC(7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane
SMILESCC[C@H]1CN(C)CC12CC2
InChIInChI=1S/C9H17N/c1-3-8-6-10(2)7-9(8)4-5-9/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyGHNQLLXCLUZQFH-QMMMGPOBSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds1

About (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane

(7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane (PubChem CID 167170501) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane
PubChem CID167170501
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane
SMILESCC[C@H]1CN(C)CC12CC2
InChIInChI=1S/C9H17N/c1-3-8-6-10(2)7-9(8)4-5-9/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyGHNQLLXCLUZQFH-QMMMGPOBSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane (CID 167170501) is (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane is CC[C@H]1CN(C)CC12CC2.
What is the InChIKey of (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane?
The InChIKey is GHNQLLXCLUZQFH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8-6-10(2)7-9(8)4-5-9/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane?
(7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-5-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 167170501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).