3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine

C12H20N2O — CID 7273097

IUPAC3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCOCCCN[C@H](C)c1ccncc1
InChIInChI=1S/C12H20N2O/c1-3-15-10-4-7-14-11(2)12-5-8-13-9-6-12/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyHVOUWNQPTJHLOW-LLVKDONJSA-N
MW208.31 g/mol
LogP2.16
Rot. Bonds7

About 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine

3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine (PubChem CID 7273097) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
PubChem CID7273097
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCOCCCN[C@H](C)c1ccncc1
InChIInChI=1S/C12H20N2O/c1-3-15-10-4-7-14-11(2)12-5-8-13-9-6-12/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t11-/m1/s1
InChIKeyHVOUWNQPTJHLOW-LLVKDONJSA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7273099
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
CID 115776636
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
3-ethylsulfonyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 65093199

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine (CID 7273097) is 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine is CCOCCCN[C@H](C)c1ccncc1.
What is the InChIKey of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is HVOUWNQPTJHLOW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-10-4-7-14-11(2)12-5-8-13-9-6-12/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 7273097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).