6-ethyl-2-methyl-2-azaspiro[3.3]heptane

C9H17N — CID 66634918

IUPAC6-ethyl-2-methyl-2-azaspiro[3.3]heptane
SMILESCCC1CC2(C1)CN(C)C2
InChIInChI=1S/C9H17N/c1-3-8-4-9(5-8)6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeySXTPDTHTZAXYSS-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds1

About 6-ethyl-2-methyl-2-azaspiro[3.3]heptane

6-ethyl-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 66634918) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-ethyl-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-ethyl-2-methyl-2-azaspiro[3.3]heptane
PubChem CID66634918
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-ethyl-2-methyl-2-azaspiro[3.3]heptane
SMILESCCC1CC2(C1)CN(C)C2
InChIInChI=1S/C9H17N/c1-3-8-4-9(5-8)6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeySXTPDTHTZAXYSS-UHFFFAOYSA-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 6-ethyl-2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-ethyl-2-methyl-2-azaspiro[3.3]heptane (CID 66634918) is 6-ethyl-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-ethyl-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-ethyl-2-methyl-2-azaspiro[3.3]heptane is CCC1CC2(C1)CN(C)C2.
What is the InChIKey of 6-ethyl-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is SXTPDTHTZAXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8-4-9(5-8)6-10(2)7-9/h8H,3-7H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-2-azaspiro[3.3]heptane?
6-ethyl-2-methyl-2-azaspiro[3.3]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 6-ethyl-2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 66634918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).