N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine

C10H16N2O2 — CID 79042345

IUPACN-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine
SMILESCOC(CNc1cccnc1C)OC
InChIInChI=1S/C10H16N2O2/c1-8-9(5-4-6-11-8)12-7-10(13-2)14-3/h4-6,10,12H,7H2,1-3H3
InChIKeyICSBVEVEHZFVMI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.42
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine

N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine (PubChem CID 79042345) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine
PubChem CID79042345
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine
SMILESCOC(CNc1cccnc1C)OC
InChIInChI=1S/C10H16N2O2/c1-8-9(5-4-6-11-8)12-7-10(13-2)14-3/h4-6,10,12H,7H2,1-3H3
InChIKeyICSBVEVEHZFVMI-UHFFFAOYSA-N
XLogP1.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine
CID 97044827
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
methyl 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzoate
CID 79041701
2-[(2-methyl-3-pyridinyl)amino]ethanol
CID 18349954
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpyridin-3-amine
CID 79041996
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
3-[(2-methyl-3-pyridinyl)amino]propan-1-ol
CID 19782834
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
N-(4-methoxybutan-2-yl)-2-methylpyridin-3-amine
CID 79042219
2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
CID 79042072

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine (CID 79042345) is N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine is COC(CNc1cccnc1C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine?
The InChIKey is ICSBVEVEHZFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-9(5-4-6-11-8)12-7-10(13-2)14-3/h4-6,10,12H,7H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine?
N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine has a molecular weight of 196.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).