6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C9H18N4 — CID 130461367

IUPAC6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CN(C)CCC12CN=C(N)N2
InChIInChI=1S/C9H18N4/c1-7-5-13(2)4-3-9(7)6-11-8(10)12-9/h7H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyWLXUUHXADHISFY-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.39
Rot. Bonds

About 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 130461367) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID130461367
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CN(C)CCC12CN=C(N)N2
InChIInChI=1S/C9H18N4/c1-7-5-13(2)4-3-9(7)6-11-8(10)12-9/h7H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyWLXUUHXADHISFY-UHFFFAOYSA-N
XLogP-0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 130461367) is 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CC1CN(C)CCC12CN=C(N)N2.
What is the InChIKey of 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is WLXUUHXADHISFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7-5-13(2)4-3-9(7)6-11-8(10)12-9/h7H,3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 182.27 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 130461367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).