2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide

C16H22N4O — CID 61448987

IUPAC2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc2ccccc2cc1CN
InChIInChI=1S/C16H22N4O/c1-4-20(11-15(21)19(2)3)16-13(10-17)9-12-7-5-6-8-14(12)18-16/h5-9H,4,10-11,17H2,1-3H3
InChIKeyPTPBNVFQBXYUSV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide

2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide (PubChem CID 61448987) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide
PubChem CID61448987
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc2ccccc2cc1CN
InChIInChI=1S/C16H22N4O/c1-4-20(11-15(21)19(2)3)16-13(10-17)9-12-7-5-6-8-14(12)18-16/h5-9H,4,10-11,17H2,1-3H3
InChIKeyPTPBNVFQBXYUSV-UHFFFAOYSA-N
XLogP1.61
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
CID 122051472
2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54985030
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol
CID 60979986
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide (CID 61448987) is 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nc2ccccc2cc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide?
The InChIKey is PTPBNVFQBXYUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-20(11-15(21)19(2)3)16-13(10-17)9-12-7-5-6-8-14(12)18-16/h5-9H,4,10-11,17H2,1-3H3.
What are the key properties of 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide?
2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 61448987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).