1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide

C8H16BrN3 — CID 24837399

IUPAC1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide
SMILESBr.CN1C(N)=NCC12CCCC2
InChIInChI=1S/C8H15N3.BrH/c1-11-7(9)10-6-8(11)4-2-3-5-8;/h2-6H2,1H3,(H2,9,10);1H
InChIKeyKHIDPZLYGFDXPO-UHFFFAOYSA-N
MW234.14 g/mol
LogP1.14
Rot. Bonds

About 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide

1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide (PubChem CID 24837399) has the molecular formula C8H16BrN3 and a molecular weight of 234.14 g/mol. Its IUPAC name is 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide.

Molecular Properties

Compound Name1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide
PubChem CID24837399
Molecular FormulaC8H16BrN3
Molecular Weight234.14 g/mol
Exact Mass233.05
IUPAC Name1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide
SMILESBr.CN1C(N)=NCC12CCCC2
InChIInChI=1S/C8H15N3.BrH/c1-11-7(9)10-6-8(11)4-2-3-5-8;/h2-6H2,1H3,(H2,9,10);1H
InChIKeyKHIDPZLYGFDXPO-UHFFFAOYSA-N
XLogP1.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide?
The IUPAC name of 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide (CID 24837399) is 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide.
What is the SMILES notation for 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide?
The canonical SMILES for 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide is Br.CN1C(N)=NCC12CCCC2.
What is the InChIKey of 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide?
The InChIKey is KHIDPZLYGFDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.BrH/c1-11-7(9)10-6-8(11)4-2-3-5-8;/h2-6H2,1H3,(H2,9,10);1H.
What are the key properties of 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide?
1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide has a molecular weight of 234.14 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine;hydrobromide is sourced from PubChem (CID 24837399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).