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

C12H24N4 — CID 79496708

IUPAC1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1CCC2(CN=C(N)N2CCN(C)C)C1
InChIInChI=1S/C12H24N4/c1-10-4-5-12(8-10)9-14-11(13)16(12)7-6-15(2)3/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyAGJUMCCQFVYLLZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.74
Rot. Bonds3

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

1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79496708) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79496708
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1CCC2(CN=C(N)N2CCN(C)C)C1
InChIInChI=1S/C12H24N4/c1-10-4-5-12(8-10)9-14-11(13)16(12)7-6-15(2)3/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyAGJUMCCQFVYLLZ-UHFFFAOYSA-N
XLogP0.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79496708) is 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine is CC1CCC2(CN=C(N)N2CCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is AGJUMCCQFVYLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10-4-5-12(8-10)9-14-11(13)16(12)7-6-15(2)3/h10H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 224.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79496708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).