2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane

C15H29N3O — CID 166170976

IUPAC2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(CCOC2)C1.CN1CCC2(C1)CN(C)C2
InChIInChI=1S/C8H16N2.C7H13NO/c1-9-4-3-8(5-9)6-10(2)7-8;1-8-4-7(5-8)2-3-9-6-7/h3-7H2,1-2H3;2-6H2,1H3
InChIKeyXGPUAMFAVMQKPF-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.59
Rot. Bonds

About 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane

2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane (PubChem CID 166170976) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane
PubChem CID166170976
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(CCOC2)C1.CN1CCC2(C1)CN(C)C2
InChIInChI=1S/C8H16N2.C7H13NO/c1-9-4-3-8(5-9)6-10(2)7-8;1-8-4-7(5-8)2-3-9-6-7/h3-7H2,1-2H3;2-6H2,1H3
InChIKeyXGPUAMFAVMQKPF-UHFFFAOYSA-N
XLogP0.59
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane (CID 166170976) is 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane is CN1CC2(CCOC2)C1.CN1CCC2(C1)CN(C)C2.
What is the InChIKey of 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is XGPUAMFAVMQKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C7H13NO/c1-9-4-3-8(5-9)6-10(2)7-8;1-8-4-7(5-8)2-3-9-6-7/h3-7H2,1-2H3;2-6H2,1H3.
What are the key properties of 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane?
2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 267.42 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 166170976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).