N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine

C17H22BrN3 — CID 106543360

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
SMILESCC1CCCC(CN)(Nc2nccc3c(Br)cccc23)C1
InChIInChI=1S/C17H22BrN3/c1-12-4-3-8-17(10-12,11-19)21-16-14-5-2-6-15(18)13(14)7-9-20-16/h2,5-7,9,12H,3-4,8,10-11,19H2,1H3,(H,20,21)
InChIKeyAJCXYKFUEJOUMN-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.32
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine

N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine (PubChem CID 106543360) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
PubChem CID106543360
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
SMILESCC1CCCC(CN)(Nc2nccc3c(Br)cccc23)C1
InChIInChI=1S/C17H22BrN3/c1-12-4-3-8-17(10-12,11-19)21-16-14-5-2-6-15(18)13(14)7-9-20-16/h2,5-7,9,12H,3-4,8,10-11,19H2,1H3,(H,20,21)
InChIKeyAJCXYKFUEJOUMN-UHFFFAOYSA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine
CID 106543596
2-[1-[(5-bromoisoquinolin-1-yl)amino]cyclopentyl]acetic acid
CID 106536221
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
CID 79718564
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775
N-[1-(aminomethyl)-3-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63759270
[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol
CID 62526536
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 63761629
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine (CID 106543360) is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine is CC1CCCC(CN)(Nc2nccc3c(Br)cccc23)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine?
The InChIKey is AJCXYKFUEJOUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-12-4-3-8-17(10-12,11-19)21-16-14-5-2-6-15(18)13(14)7-9-20-16/h2,5-7,9,12H,3-4,8,10-11,19H2,1H3,(H,20,21).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine?
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine has a molecular weight of 348.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine is sourced from PubChem (CID 106543360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).