1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine

C15H20BrN3 — CID 107159352

IUPAC1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNc1nccc2c(Br)cccc12
InChIInChI=1S/C15H20BrN3/c1-10(2)8-11(17)9-19-15-13-4-3-5-14(16)12(13)6-7-18-15/h3-7,10-11H,8-9,17H2,1-2H3,(H,18,19)
InChIKeyIYJFKNYRJDHMMN-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.78
Rot. Bonds5

About 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine

1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine (PubChem CID 107159352) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine
PubChem CID107159352
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNc1nccc2c(Br)cccc12
InChIInChI=1S/C15H20BrN3/c1-10(2)8-11(17)9-19-15-13-4-3-5-14(16)12(13)6-7-18-15/h3-7,10-11H,8-9,17H2,1-2H3,(H,18,19)
InChIKeyIYJFKNYRJDHMMN-UHFFFAOYSA-N
XLogP3.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(5-bromoisoquinolin-1-yl)butane-1,2-diamine
CID 106540633
N-(5-bromoisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543454
5-bromo-N-(2-phenylpropyl)isoquinolin-1-amine
CID 106539446
2-N-(5-bromoisoquinolin-1-yl)-2-methylbutane-2,3-diamine
CID 106543589
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538482
3-[(5-bromoisoquinolin-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 103888994
5-bromo-N-(1-chloropropan-2-yl)isoquinolin-1-amine
CID 106542700
4-[(5-bromoisoquinolin-1-yl)amino]-3-methoxybutanoic acid
CID 106536504
1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159277
5-bromo-N-(2-ethoxyethyl)isoquinolin-1-amine
CID 103847057
2-[(5-bromoisoquinolin-1-yl)amino]propanamide
CID 106537590
5-bromo-N-(4-methoxybutyl)isoquinolin-1-amine
CID 113346423

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine (CID 107159352) is 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine is CC(C)CC(N)CNc1nccc2c(Br)cccc12.
What is the InChIKey of 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine?
The InChIKey is IYJFKNYRJDHMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)8-11(17)9-19-15-13-4-3-5-14(16)12(13)6-7-18-15/h3-7,10-11H,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine?
1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine has a molecular weight of 322.25 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 107159352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).