N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine

C13H23N3O — CID 80628259

IUPACN,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
SMILESCCN(CC)c1ccc(CNCCOC)cn1
InChIInChI=1S/C13H23N3O/c1-4-16(5-2)13-7-6-12(11-15-13)10-14-8-9-17-3/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyBQAOFXPNKUTOCT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.66
Rot. Bonds8

About N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine

N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine (PubChem CID 80628259) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
PubChem CID80628259
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
SMILESCCN(CC)c1ccc(CNCCOC)cn1
InChIInChI=1S/C13H23N3O/c1-4-16(5-2)13-7-6-12(11-15-13)10-14-8-9-17-3/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyBQAOFXPNKUTOCT-UHFFFAOYSA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.66
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

5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939102
5-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 80629841
N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632112
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632466
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 80632155
N,5-diethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 170641269
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 102633012
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631270
N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
CID 80632198

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine (CID 80628259) is N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine is CCN(CC)c1ccc(CNCCOC)cn1.
What is the InChIKey of N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
The InChIKey is BQAOFXPNKUTOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-16(5-2)13-7-6-12(11-15-13)10-14-8-9-17-3/h6-7,11,14H,4-5,8-10H2,1-3H3.
What are the key properties of N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine?
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80628259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).