N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine

C14H16BrN3 — CID 106543596

IUPACN-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine
SMILESNCC1(Nc2nccc3c(Br)cccc23)CCC1
InChIInChI=1S/C14H16BrN3/c15-12-4-1-3-11-10(12)5-8-17-13(11)18-14(9-16)6-2-7-14/h1,3-5,8H,2,6-7,9,16H2,(H,17,18)
InChIKeyOZFPDLVREJHNBC-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.29
Rot. Bonds3

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

N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine (PubChem CID 106543596) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine
PubChem CID106543596
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine
SMILESNCC1(Nc2nccc3c(Br)cccc23)CCC1
InChIInChI=1S/C14H16BrN3/c15-12-4-1-3-11-10(12)5-8-17-13(11)18-14(9-16)6-2-7-14/h1,3-5,8H,2,6-7,9,16H2,(H,17,18)
InChIKeyOZFPDLVREJHNBC-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
CID 106543360
2-[1-[(5-bromoisoquinolin-1-yl)amino]cyclopentyl]acetic acid
CID 106536221
N-[1-(aminomethyl)cyclopentyl]furo[3,2-c]pyridin-4-amine
CID 106535301
N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine
CID 106298365
N-[1-(aminomethyl)cyclobutyl]-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106543598
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
5-bromo-N-[(2-methyloxolan-2-yl)methyl]isoquinolin-1-amine
CID 103888936
2-N-(5-bromoisoquinolin-1-yl)pentane-1,2-diamine
CID 106540738
N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
CID 65384494
1-N-(5-bromoisoquinolin-1-yl)-2,2-dimethylcyclobutane-1,3-diamine
CID 106543608
N-[1-(chloromethyl)cyclohexyl]-5-methoxyisoquinolin-1-amine
CID 106542747
N-(5-bromoisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543454

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine (CID 106543596) is N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine is NCC1(Nc2nccc3c(Br)cccc23)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine?
The InChIKey is OZFPDLVREJHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-4-1-3-11-10(12)5-8-17-13(11)18-14(9-16)6-2-7-14/h1,3-5,8H,2,6-7,9,16H2,(H,17,18).
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine?
N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine has a molecular weight of 306.21 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine is sourced from PubChem (CID 106543596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).