N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C17H24BrN3 — CID 107085501

IUPACN'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C17H24BrN3/c1-4-21(11-7-10-20(2)3)17-15(13-18)12-14-8-5-6-9-16(14)19-17/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3
InChIKeyNDMLGMQJYVSJHK-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.91
Rot. Bonds7

About N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 107085501) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID107085501
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C17H24BrN3/c1-4-21(11-7-10-20(2)3)17-15(13-18)12-14-8-5-6-9-16(14)19-17/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3
InChIKeyNDMLGMQJYVSJHK-UHFFFAOYSA-N
XLogP3.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-N,N-dibutylquinolin-2-amine
CID 107079757
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile
CID 102993201
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352
3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
CID 107082571
3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997412
3-[[3-(bromomethyl)quinolin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 107083470
2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol
CID 60979986

Frequently Asked Questions

What is the IUPAC name of N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 107085501) is N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1nc2ccccc2cc1CBr.
What is the InChIKey of N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is NDMLGMQJYVSJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-21(11-7-10-20(2)3)17-15(13-18)12-14-8-5-6-9-16(14)19-17/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3.
What are the key properties of N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 350.30 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 107085501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).