3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine

C15H26N2O — CID 116759816

IUPAC3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ccncc1)NC
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,18-7-3)14(16-4)12-13-8-10-17-11-9-13/h8-11,14,16H,5-7,12H2,1-4H3
InChIKeyLGVMBTBDDLUYTI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds8

About 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine

3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine (PubChem CID 116759816) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
PubChem CID116759816
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ccncc1)NC
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,18-7-3)14(16-4)12-13-8-10-17-11-9-13/h8-11,14,16H,5-7,12H2,1-4H3
InChIKeyLGVMBTBDDLUYTI-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062287
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
CID 116759933
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 114857146
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine (CID 116759816) is 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine is CCOC(CC)(CC)C(Cc1ccncc1)NC.
What is the InChIKey of 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine?
The InChIKey is LGVMBTBDDLUYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-15(6-2,18-7-3)14(16-4)12-13-8-10-17-11-9-13/h8-11,14,16H,5-7,12H2,1-4H3.
What are the key properties of 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine?
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine is sourced from PubChem (CID 116759816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).