3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

C11H23N3 — CID 52644110

IUPAC3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCC2(CC1)CNCCCN2C
InChIInChI=1S/C11H23N3/c1-13-8-4-11(5-9-13)10-12-6-3-7-14(11)2/h12H,3-10H2,1-2H3
InChIKeyIXJLTJOUBXPZHS-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.38
Rot. Bonds

About 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 52644110) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
PubChem CID52644110
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCC2(CC1)CNCCCN2C
InChIInChI=1S/C11H23N3/c1-13-8-4-11(5-9-13)10-12-6-3-7-14(11)2/h12H,3-10H2,1-2H3
InChIKeyIXJLTJOUBXPZHS-UHFFFAOYSA-N
XLogP0.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (CID 52644110) is 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is CN1CCC2(CC1)CNCCCN2C.
What is the InChIKey of 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is IXJLTJOUBXPZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13-8-4-11(5-9-13)10-12-6-3-7-14(11)2/h12H,3-10H2,1-2H3.
What are the key properties of 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 197.33 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 52644110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).