N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine

C13H22N2O — CID 63155925

IUPACN-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2O/c1-4-8-16-10-13(14-5-2)12-7-6-11(3)15-9-12/h6-7,9,13-14H,4-5,8,10H2,1-3H3
InChIKeyAFMVCRUFJYYQDZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds7

About N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine

N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine (PubChem CID 63155925) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
PubChem CID63155925
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2O/c1-4-8-16-10-13(14-5-2)12-7-6-11(3)15-9-12/h6-7,9,13-14H,4-5,8,10H2,1-3H3
InChIKeyAFMVCRUFJYYQDZ-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine 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

N-methyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155924
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
CID 105165499
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
N-ethyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143217
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine (CID 63155925) is N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine is CCCOCC(NCC)c1ccc(C)nc1.
What is the InChIKey of N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine?
The InChIKey is AFMVCRUFJYYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-8-16-10-13(14-5-2)12-7-6-11(3)15-9-12/h6-7,9,13-14H,4-5,8,10H2,1-3H3.
What are the key properties of N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine?
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine is sourced from PubChem (CID 63155925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).