5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine

C13H23N3O — CID 113378202

IUPAC5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-13(2,3)16-10-11-5-6-12(15-9-11)14-7-8-17-4/h5-6,9,16H,7-8,10H2,1-4H3,(H,14,15)
InChIKeyBKWBZFBZFICJEW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine

5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 113378202) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID113378202
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-13(2,3)16-10-11-5-6-12(15-9-11)14-7-8-17-4/h5-6,9,16H,7-8,10H2,1-4H3,(H,14,15)
InChIKeyBKWBZFBZFICJEW-UHFFFAOYSA-N
XLogP2.03
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
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;dihydrochloride
CID 162339864
5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;methane
CID 160536663
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
5-hydrazinyl-N-(2-methoxyethyl)pyridin-2-amine
CID 55281043
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
CID 62193134
N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 95846447
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 83038922
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine (CID 113378202) is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine is COCCNc1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is BKWBZFBZFICJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)16-10-11-5-6-12(15-9-11)14-7-8-17-4/h5-6,9,16H,7-8,10H2,1-4H3,(H,14,15).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 113378202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).