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

C16H21BrN4 — CID 116783705

IUPACN-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine
SMILESCN1CCCC(CN)(Nc2cccc3cc(Br)cnc23)C1
InChIInChI=1S/C16H21BrN4/c1-21-7-3-6-16(10-18,11-21)20-14-5-2-4-12-8-13(17)9-19-15(12)14/h2,4-5,8-9,20H,3,6-7,10-11,18H2,1H3
InChIKeyPNQJTAKOHAXQMF-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.83
Rot. Bonds3

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

N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine (PubChem CID 116783705) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine
PubChem CID116783705
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC NameN-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine
SMILESCN1CCCC(CN)(Nc2cccc3cc(Br)cnc23)C1
InChIInChI=1S/C16H21BrN4/c1-21-7-3-6-16(10-18,11-21)20-14-5-2-4-12-8-13(17)9-19-15(12)14/h2,4-5,8-9,20H,3,6-7,10-11,18H2,1H3
InChIKeyPNQJTAKOHAXQMF-UHFFFAOYSA-N
XLogP2.83
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775
3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine
CID 116783293
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312
N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 116783724
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708
[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol
CID 116783182
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
N-(3-bromoquinolin-8-yl)-1-(furan-3-yl)ethane-1,2-diamine
CID 116783701
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
CID 65384494

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine?
The IUPAC name of N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine (CID 116783705) is N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine.
What is the SMILES notation for N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine?
The canonical SMILES for N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine is CN1CCCC(CN)(Nc2cccc3cc(Br)cnc23)C1.
What is the InChIKey of N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine?
The InChIKey is PNQJTAKOHAXQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-21-7-3-6-16(10-18,11-21)20-14-5-2-4-12-8-13(17)9-19-15(12)14/h2,4-5,8-9,20H,3,6-7,10-11,18H2,1H3.
What are the key properties of N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine?
N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine has a molecular weight of 349.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine is sourced from PubChem (CID 116783705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).