2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine

C14H18BrN3 — CID 116783708

IUPAC2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3/c1-3-14(2,9-16)18-12-6-4-5-10-7-11(15)8-17-13(10)12/h4-8,18H,3,9,16H2,1-2H3
InChIKeyVHYQLAHSEWMVHG-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.54
Rot. Bonds4

About 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine

2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine (PubChem CID 116783708) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
PubChem CID116783708
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3/c1-3-14(2,9-16)18-12-6-4-5-10-7-11(15)8-17-13(10)12/h4-8,18H,3,9,16H2,1-2H3
InChIKeyVHYQLAHSEWMVHG-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine
CID 116783715
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 116784232
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785323
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
(Z)-4-[(3-bromoquinolin-8-yl)amino]-2-ethylbut-2-enoic acid
CID 103267539
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
CID 116785861

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine (CID 116783708) is 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine is CCC(C)(CN)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine?
The InChIKey is VHYQLAHSEWMVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-14(2,9-16)18-12-6-4-5-10-7-11(15)8-17-13(10)12/h4-8,18H,3,9,16H2,1-2H3.
What are the key properties of 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine?
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine has a molecular weight of 308.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 116783708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).