2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine

C15H26N2O — CID 116721522

IUPAC2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(c1cncc(C)c1)C(OCC)C(C)C
InChIInChI=1S/C15H26N2O/c1-6-17-14(15(11(3)4)18-7-2)13-8-12(5)9-16-10-13/h8-11,14-15,17H,6-7H2,1-5H3
InChIKeyVRHQJFANZBMBGW-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.10
Rot. Bonds7

About 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine

2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine (PubChem CID 116721522) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
PubChem CID116721522
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(c1cncc(C)c1)C(OCC)C(C)C
InChIInChI=1S/C15H26N2O/c1-6-17-14(15(11(3)4)18-7-2)13-8-12(5)9-16-10-13/h8-11,14-15,17H,6-7H2,1-5H3
InChIKeyVRHQJFANZBMBGW-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine 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

2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116760231
N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105022959
1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 79495401
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
3-(2-ethoxy-1-hydrazinyl-3-methylbutyl)-5-methylpyridin-2-amine
CID 105272591
2-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718083
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 114661268

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine (CID 116721522) is 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine is CCNC(c1cncc(C)c1)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is VRHQJFANZBMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-17-14(15(11(3)4)18-7-2)13-8-12(5)9-16-10-13/h8-11,14-15,17H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 116721522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).