2,3,6-trimethyl-2-azaspiro[3.3]heptane

C9H17N — CID 146609412

IUPAC2,3,6-trimethyl-2-azaspiro[3.3]heptane
SMILESCC1CC2(C1)CN(C)C2C
InChIInChI=1S/C9H17N/c1-7-4-9(5-7)6-10(3)8(9)2/h7-8H,4-6H2,1-3H3
InChIKeyLMHSQJVTEQDDDU-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds

About 2,3,6-trimethyl-2-azaspiro[3.3]heptane

2,3,6-trimethyl-2-azaspiro[3.3]heptane (PubChem CID 146609412) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,3,6-trimethyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2,3,6-trimethyl-2-azaspiro[3.3]heptane
PubChem CID146609412
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,3,6-trimethyl-2-azaspiro[3.3]heptane
SMILESCC1CC2(C1)CN(C)C2C
InChIInChI=1S/C9H17N/c1-7-4-9(5-7)6-10(3)8(9)2/h7-8H,4-6H2,1-3H3
InChIKeyLMHSQJVTEQDDDU-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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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Related Compounds

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CID 159576451
1,2,2,4,6,6-hexamethylpiperidine;vanadium
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(7R)-2,5,7-trimethyl-5-azaspiro[3.4]octane
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(5S,8S)-5-ethyl-6,8-dimethyl-6-azaspiro[3.5]nonane
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7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane
CID 167041007
1,1,3-trimethylcyclobutane
CID 12656861
5,6-dimethyl-5-azaspiro[2.4]heptane;ethane
CID 144912069
4,7-dimethyl-4-azatricyclo[3.3.1.01,3]nonane
CID 59352970
1,3,3,5,5,7-hexamethylazocane
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CID 90327705

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-2-azaspiro[3.3]heptane?
The IUPAC name of 2,3,6-trimethyl-2-azaspiro[3.3]heptane (CID 146609412) is 2,3,6-trimethyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2,3,6-trimethyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2,3,6-trimethyl-2-azaspiro[3.3]heptane is CC1CC2(C1)CN(C)C2C.
What is the InChIKey of 2,3,6-trimethyl-2-azaspiro[3.3]heptane?
The InChIKey is LMHSQJVTEQDDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-4-9(5-7)6-10(3)8(9)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-2-azaspiro[3.3]heptane?
2,3,6-trimethyl-2-azaspiro[3.3]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 146609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).