N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

C16H22BrN3 — CID 166367008

IUPACN-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC1CCC2CN=C(NC(C)c3ccc(Br)cc3)N2C1
InChIInChI=1S/C16H22BrN3/c1-11-3-8-15-9-18-16(20(15)10-11)19-12(2)13-4-6-14(17)7-5-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyAFHNGAKCZKEJJE-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.57
Rot. Bonds2

About N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (PubChem CID 166367008) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
PubChem CID166367008
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC1CCC2CN=C(NC(C)c3ccc(Br)cc3)N2C1
InChIInChI=1S/C16H22BrN3/c1-11-3-8-15-9-18-16(20(15)10-11)19-12(2)13-4-6-14(17)7-5-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyAFHNGAKCZKEJJE-UHFFFAOYSA-N
XLogP3.57
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (CID 166367008) is N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is CC1CCC2CN=C(NC(C)c3ccc(Br)cc3)N2C1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The InChIKey is AFHNGAKCZKEJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-11-3-8-15-9-18-16(20(15)10-11)19-12(2)13-4-6-14(17)7-5-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine has a molecular weight of 336.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 166367008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).