8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C12H24N4 — CID 79497104

IUPAC8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCN(C)CC2
InChIInChI=1S/C12H24N4/c1-10(2)8-16-11(13)14-9-12(16)4-6-15(3)7-5-12/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyKXNLETNSOUWMIN-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.74
Rot. Bonds2

About 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497104) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497104
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCN(C)CC2
InChIInChI=1S/C12H24N4/c1-10(2)8-16-11(13)14-9-12(16)4-6-15(3)7-5-12/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyKXNLETNSOUWMIN-UHFFFAOYSA-N
XLogP0.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79497104) is 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCN(C)CC2.
What is the InChIKey of 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is KXNLETNSOUWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)8-16-11(13)14-9-12(16)4-6-15(3)7-5-12/h10H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 224.35 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).