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

C15H26N2O — CID 116717105

IUPAC3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
SMILESCCCNC(Cc1ccncc1)C(CC)OCC
InChIInChI=1S/C15H26N2O/c1-4-9-17-14(15(5-2)18-6-3)12-13-7-10-16-11-8-13/h7-8,10-11,14-15,17H,4-6,9,12H2,1-3H3
InChIKeyBFZZZWWSMJJWTM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds9

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

3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine (PubChem CID 116717105) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
PubChem CID116717105
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
SMILESCCCNC(Cc1ccncc1)C(CC)OCC
InChIInChI=1S/C15H26N2O/c1-4-9-17-14(15(5-2)18-6-3)12-13-7-10-16-11-8-13/h7-8,10-11,14-15,17H,4-6,9,12H2,1-3H3
InChIKeyBFZZZWWSMJJWTM-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-methyl-1-pyridin-4-ylpentan-2-amine
CID 116716532
1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 79493387
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717090
4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 116717162
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine?
The IUPAC name of 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine (CID 116717105) is 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine?
The canonical SMILES for 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine is CCCNC(Cc1ccncc1)C(CC)OCC.
What is the InChIKey of 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine?
The InChIKey is BFZZZWWSMJJWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-9-17-14(15(5-2)18-6-3)12-13-7-10-16-11-8-13/h7-8,10-11,14-15,17H,4-6,9,12H2,1-3H3.
What are the key properties of 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine?
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine is sourced from PubChem (CID 116717105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).