8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

C12H23N3 — CID 79496913

IUPAC8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCC(C)C2
InChIInChI=1S/C12H23N3/c1-9(2)7-15-11(13)14-8-12(15)5-4-10(3)6-12/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyVMHPEYHTNIIIMO-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.83
Rot. Bonds2

About 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79496913) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79496913
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCC(C)C2
InChIInChI=1S/C12H23N3/c1-9(2)7-15-11(13)14-8-12(15)5-4-10(3)6-12/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyVMHPEYHTNIIIMO-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79496913) is 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is CC(C)CN1C(N)=NCC12CCC(C)C2.
What is the InChIKey of 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is VMHPEYHTNIIIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)7-15-11(13)14-8-12(15)5-4-10(3)6-12/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 209.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79496913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).