N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

C16H22ClN3 — CID 63701145

IUPACN'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(CCl)c2ccccc2n1
InChIInChI=1S/C16H22ClN3/c1-19(2)9-6-10-20(3)16-11-13(12-17)14-7-4-5-8-15(14)18-16/h4-5,7-8,11H,6,9-10,12H2,1-3H3
InChIKeyFKPGWAAIINSZRG-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.36
Rot. Bonds6

About N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63701145) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63701145
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1cc(CCl)c2ccccc2n1
InChIInChI=1S/C16H22ClN3/c1-19(2)9-6-10-20(3)16-11-13(12-17)14-7-4-5-8-15(14)18-16/h4-5,7-8,11H,6,9-10,12H2,1-3H3
InChIKeyFKPGWAAIINSZRG-UHFFFAOYSA-N
XLogP3.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.36
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

N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 115914819
4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine
CID 63008304
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine
CID 63445993
[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
CID 112663552
[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
CID 62288336
N'-(2-hydrazinylquinazolin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909502
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443

Frequently Asked Questions

What is the IUPAC name of N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63701145) is N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1cc(CCl)c2ccccc2n1.
What is the InChIKey of N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is FKPGWAAIINSZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-19(2)9-6-10-20(3)16-11-13(12-17)14-7-4-5-8-15(14)18-16/h4-5,7-8,11H,6,9-10,12H2,1-3H3.
What are the key properties of N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 291.83 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63701145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).