3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine

C12H18F3N3O — CID 79869057

IUPAC3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCN(C)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H18F3N3O/c1-18(6-3-7-19-2)11-9(8-16)4-5-10(17-11)12(13,14)15/h4-5H,3,6-8,16H2,1-2H3
InChIKeySEULXOLNYWKRIG-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.03
Rot. Bonds6

About 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 79869057) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID79869057
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCN(C)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H18F3N3O/c1-18(6-3-7-19-2)11-9(8-16)4-5-10(17-11)12(13,14)15/h4-5H,3,6-8,16H2,1-2H3
InChIKeySEULXOLNYWKRIG-UHFFFAOYSA-N
XLogP2.03
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
CID 71503747
[2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103176685
N'-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991313
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide
CID 79869188
[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 126564818
3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
CID 79873820
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 79873857
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine
CID 62984087
N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102739699
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
CID 79873585
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide
CID 79873826
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine (CID 79869057) is 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine is COCCCN(C)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SEULXOLNYWKRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-18(6-3-7-19-2)11-9(8-16)4-5-10(17-11)12(13,14)15/h4-5H,3,6-8,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79869057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).