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

C16H28N2O — CID 116759285

IUPAC3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
SMILESCCCNC(Cc1ccncc1)C(C)(CC)OCC
InChIInChI=1S/C16H28N2O/c1-5-10-18-15(16(4,6-2)19-7-3)13-14-8-11-17-12-9-14/h8-9,11-12,15,18H,5-7,10,13H2,1-4H3
InChIKeyQMNCLASWFHAUBK-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.20
Rot. Bonds9

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

3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine (PubChem CID 116759285) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
PubChem CID116759285
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
SMILESCCCNC(Cc1ccncc1)C(C)(CC)OCC
InChIInChI=1S/C16H28N2O/c1-5-10-18-15(16(4,6-2)19-7-3)13-14-8-11-17-12-9-14/h8-9,11-12,15,18H,5-7,10,13H2,1-4H3
InChIKeyQMNCLASWFHAUBK-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
CID 116759325
3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
CID 116759404
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
4-[3-ethoxy-2-(ethylamino)-3-methylpentyl]pyridin-2-amine
CID 116759232
2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116759381
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine (CID 116759285) is 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine is CCCNC(Cc1ccncc1)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
The InChIKey is QMNCLASWFHAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-10-18-15(16(4,6-2)19-7-3)13-14-8-11-17-12-9-14/h8-9,11-12,15,18H,5-7,10,13H2,1-4H3.
What are the key properties of 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine is sourced from PubChem (CID 116759285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).