2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine

C16H28N2O — CID 116761495

IUPAC2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(C)c1)C(CC)(CC)OC
InChIInChI=1S/C16H28N2O/c1-6-9-18-15(16(7-2,8-3)19-5)14-10-13(4)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3
InChIKeyUVJBJBBYGCPNKH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.64
Rot. Bonds8

About 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine

2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine (PubChem CID 116761495) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine
PubChem CID116761495
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(C)c1)C(CC)(CC)OC
InChIInChI=1S/C16H28N2O/c1-6-9-18-15(16(7-2,8-3)19-5)14-10-13(4)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3
InChIKeyUVJBJBBYGCPNKH-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-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-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116760231
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294
N-[(5-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115374405
2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
CID 116761475
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023117
N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine (CID 116761495) is 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine is CCCNC(c1cncc(C)c1)C(CC)(CC)OC.
What is the InChIKey of 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is UVJBJBBYGCPNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-9-18-15(16(7-2,8-3)19-5)14-10-13(4)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine?
2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116761495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).