N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine

C17H22BrN3 — CID 116783775

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
SMILESCC1CCCC(CN)(Nc2cccc3cc(Br)cnc23)C1
InChIInChI=1S/C17H22BrN3/c1-12-4-3-7-17(9-12,11-19)21-15-6-2-5-13-8-14(18)10-20-16(13)15/h2,5-6,8,10,12,21H,3-4,7,9,11,19H2,1H3
InChIKeyVAAJEOXDVMZHHW-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.32
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine

N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine (PubChem CID 116783775) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
PubChem CID116783775
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
SMILESCC1CCCC(CN)(Nc2cccc3cc(Br)cnc23)C1
InChIInChI=1S/C17H22BrN3/c1-12-4-3-7-17(9-12,11-19)21-15-6-2-5-13-8-14(18)10-20-16(13)15/h2,5-6,8,10,12,21H,3-4,7,9,11,19H2,1H3
InChIKeyVAAJEOXDVMZHHW-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-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine
CID 116783705
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
CID 79718564
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
CID 106543360
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
CID 65384703
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 116783724
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline
CID 65383001
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine (CID 116783775) is N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine is CC1CCCC(CN)(Nc2cccc3cc(Br)cnc23)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine?
The InChIKey is VAAJEOXDVMZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-12-4-3-7-17(9-12,11-19)21-15-6-2-5-13-8-14(18)10-20-16(13)15/h2,5-6,8,10,12,21H,3-4,7,9,11,19H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine?
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-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]-3-bromoquinolin-8-amine is sourced from PubChem (CID 116783775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).