1,5-dimethyl-1,5-diazaspiro[3.3]heptane

C7H14N2 — CID 59187038

IUPAC1,5-dimethyl-1,5-diazaspiro[3.3]heptane
SMILESCN1CCC12CCN2C
InChIInChI=1S/C7H14N2/c1-8-5-3-7(8)4-6-9(7)2/h3-6H2,1-2H3
InChIKeyJIXDSMQWDKTUGK-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.35
Rot. Bonds

About 1,5-dimethyl-1,5-diazaspiro[3.3]heptane

1,5-dimethyl-1,5-diazaspiro[3.3]heptane (PubChem CID 59187038) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,5-dimethyl-1,5-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name1,5-dimethyl-1,5-diazaspiro[3.3]heptane
PubChem CID59187038
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,5-dimethyl-1,5-diazaspiro[3.3]heptane
SMILESCN1CCC12CCN2C
InChIInChI=1S/C7H14N2/c1-8-5-3-7(8)4-6-9(7)2/h3-6H2,1-2H3
InChIKeyJIXDSMQWDKTUGK-UHFFFAOYSA-N
XLogP0.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,5-diazaspiro[3.3]heptane?
The IUPAC name of 1,5-dimethyl-1,5-diazaspiro[3.3]heptane (CID 59187038) is 1,5-dimethyl-1,5-diazaspiro[3.3]heptane.
What is the SMILES notation for 1,5-dimethyl-1,5-diazaspiro[3.3]heptane?
The canonical SMILES for 1,5-dimethyl-1,5-diazaspiro[3.3]heptane is CN1CCC12CCN2C.
What is the InChIKey of 1,5-dimethyl-1,5-diazaspiro[3.3]heptane?
The InChIKey is JIXDSMQWDKTUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-8-5-3-7(8)4-6-9(7)2/h3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-1,5-diazaspiro[3.3]heptane?
1,5-dimethyl-1,5-diazaspiro[3.3]heptane has a molecular weight of 126.20 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,5-diazaspiro[3.3]heptane is sourced from PubChem (CID 59187038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).