3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine

C9H15N3O2 — CID 79492532

IUPAC3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
SMILESCOC(OC)C(N)c1cccnc1N
InChIInChI=1S/C9H15N3O2/c1-13-9(14-2)7(10)6-4-3-5-12-8(6)11/h3-5,7,9H,10H2,1-2H3,(H2,11,12)
InChIKeyZALLMJSRUXXWJU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.28
Rot. Bonds4

About 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine

3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine (PubChem CID 79492532) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
PubChem CID79492532
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
SMILESCOC(OC)C(N)c1cccnc1N
InChIInChI=1S/C9H15N3O2/c1-13-9(14-2)7(10)6-4-3-5-12-8(6)11/h3-5,7,9H,10H2,1-2H3,(H2,11,12)
InChIKeyZALLMJSRUXXWJU-UHFFFAOYSA-N
XLogP0.28
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
3-(1-hydrazinyl-2-methoxypropyl)pyridin-2-amine
CID 105246942
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
methoxymethane;3-methylpyridin-2-amine
CID 142348172
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
3-(1-amino-2-cyclohexyl-2-ethoxyethyl)pyridin-2-amine
CID 116772126
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine?
The IUPAC name of 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine (CID 79492532) is 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine?
The canonical SMILES for 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine is COC(OC)C(N)c1cccnc1N.
What is the InChIKey of 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine?
The InChIKey is ZALLMJSRUXXWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-13-9(14-2)7(10)6-4-3-5-12-8(6)11/h3-5,7,9H,10H2,1-2H3,(H2,11,12).
What are the key properties of 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine?
3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine has a molecular weight of 197.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine is sourced from PubChem (CID 79492532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).