1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

C13H17BrN4 — CID 79514020

IUPAC1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESCN1CCC2(CN=C(N)N2c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN4/c1-17-7-6-13(9-17)8-16-12(15)18(13)11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16)
InChIKeyMXMBEZOYRARQNQ-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.66
Rot. Bonds1

About 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (PubChem CID 79514020) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
PubChem CID79514020
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESCN1CCC2(CN=C(N)N2c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN4/c1-17-7-6-13(9-17)8-16-12(15)18(13)11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16)
InChIKeyMXMBEZOYRARQNQ-UHFFFAOYSA-N
XLogP1.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515144
1-(2-bromophenyl)-5-(4-bromophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502893
1-(2-bromophenyl)-5-methyl-5-pyridin-4-yl-4H-imidazol-2-amine
CID 79514398
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79500013
8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79504867
1-(2-bromophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514624
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79514380
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504898
1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521112
5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565687
7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 113248406

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (CID 79514020) is 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is CN1CCC2(CN=C(N)N2c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The InChIKey is MXMBEZOYRARQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-17-7-6-13(9-17)8-16-12(15)18(13)11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H2,15,16).
What are the key properties of 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine has a molecular weight of 309.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79514020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).