3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine

C14H18BrN3 — CID 71680845

IUPAC3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine
SMILESCC1(c2cccc(Br)c2)N=C(N)C2CCCCN21
InChIInChI=1S/C14H18BrN3/c1-14(10-5-4-6-11(15)9-10)17-13(16)12-7-2-3-8-18(12)14/h4-6,9,12H,2-3,7-8H2,1H3,(H2,16,17)
InChIKeyQLBZERIANABSLV-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.85
Rot. Bonds1

About 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine

3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine (PubChem CID 71680845) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine
PubChem CID71680845
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine
SMILESCC1(c2cccc(Br)c2)N=C(N)C2CCCCN21
InChIInChI=1S/C14H18BrN3/c1-14(10-5-4-6-11(15)9-10)17-13(16)12-7-2-3-8-18(12)14/h4-6,9,12H,2-3,7-8H2,1H3,(H2,16,17)
InChIKeyQLBZERIANABSLV-UHFFFAOYSA-N
XLogP2.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine?
The IUPAC name of 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine (CID 71680845) is 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine is CC1(c2cccc(Br)c2)N=C(N)C2CCCCN21.
What is the InChIKey of 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine?
The InChIKey is QLBZERIANABSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-14(10-5-4-6-11(15)9-10)17-13(16)12-7-2-3-8-18(12)14/h4-6,9,12H,2-3,7-8H2,1H3,(H2,16,17).
What are the key properties of 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine?
3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine has a molecular weight of 308.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-amine is sourced from PubChem (CID 71680845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).