5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride

C9H17Cl2N3O — CID 162339864

IUPAC5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride
SMILESCOCCNc1ccc(CN)cn1.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-13-5-4-11-9-3-2-8(6-10)7-12-9;;/h2-3,7H,4-6,10H2,1H3,(H,11,12);2*1H
InChIKeyZGCWFJGYUGNINE-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.44
Rot. Bonds5

About 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride

5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride (PubChem CID 162339864) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride
PubChem CID162339864
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride
SMILESCOCCNc1ccc(CN)cn1.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-13-5-4-11-9-3-2-8(6-10)7-12-9;;/h2-3,7H,4-6,10H2,1H3,(H,11,12);2*1H
InChIKeyZGCWFJGYUGNINE-UHFFFAOYSA-N
XLogP1.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;methane
CID 160536663
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 113378202
5-(aminomethyl)-N-pentylpyridin-2-amine
CID 95437328
5-hydrazinyl-N-(2-methoxyethyl)pyridin-2-amine
CID 55281043
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102694575
5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
CID 62193134
N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 95846447
6-(aminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 115487003
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183338
N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide
CID 63687650

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride (CID 162339864) is 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride is COCCNc1ccc(CN)cn1.Cl.Cl.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride?
The InChIKey is ZGCWFJGYUGNINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-13-5-4-11-9-3-2-8(6-10)7-12-9;;/h2-3,7H,4-6,10H2,1H3,(H,11,12);2*1H.
What are the key properties of 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride?
5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 162339864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).