1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine

C15H18BrN3 — CID 106543422

IUPAC1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine
SMILESCC(C)C1(N)CN(c2nccc3c(Br)cccc23)C1
InChIInChI=1S/C15H18BrN3/c1-10(2)15(17)8-19(9-15)14-12-4-3-5-13(16)11(12)6-7-18-14/h3-7,10H,8-9,17H2,1-2H3
InChIKeyBLXSMKVZPNBVHY-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.17
Rot. Bonds2

About 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine

1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine (PubChem CID 106543422) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine.

Molecular Properties

Compound Name1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine
PubChem CID106543422
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine
SMILESCC(C)C1(N)CN(c2nccc3c(Br)cccc23)C1
InChIInChI=1S/C15H18BrN3/c1-10(2)15(17)8-19(9-15)14-12-4-3-5-13(16)11(12)6-7-18-14/h3-7,10H,8-9,17H2,1-2H3
InChIKeyBLXSMKVZPNBVHY-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-bromoisoquinolin-1-yl)piperazin-1-yl]propan-1-amine
CID 106536597
1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol
CID 103889072
1-(5-bromoisoquinolin-1-yl)-5-methylpiperidin-3-amine
CID 106540899
9-(5-bromoisoquinolin-1-yl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 103888995
5-bromo-1-(3-bromo-4-methylpiperidin-1-yl)isoquinoline
CID 106543296
1-(5-bromoisoquinolin-1-yl)-1,2,4-triazol-3-amine
CID 106541716
N-[[1-(5-bromoisoquinolin-1-yl)piperidin-4-yl]methyl]ethanamine
CID 106540909
1-(5-bromoisoquinolin-1-yl)pyrrolidine-3-carboxylic acid
CID 106536146
1-(azetidin-1-yl)-5-propan-2-ylisoquinoline
CID 176668172
1-(5-bromoisoquinolin-1-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 106536499
N'-(5-bromoisoquinolin-1-yl)-N'-propan-2-ylethane-1,2-diamine
CID 106542301
5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline
CID 106543709

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine?
The IUPAC name of 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine (CID 106543422) is 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine.
What is the SMILES notation for 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine?
The canonical SMILES for 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine is CC(C)C1(N)CN(c2nccc3c(Br)cccc23)C1.
What is the InChIKey of 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine?
The InChIKey is BLXSMKVZPNBVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10(2)15(17)8-19(9-15)14-12-4-3-5-13(16)11(12)6-7-18-14/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine?
1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine has a molecular weight of 320.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoisoquinolin-1-yl)-3-propan-2-ylazetidin-3-amine is sourced from PubChem (CID 106543422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).