N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine

C16H28N2O2 — CID 106447868

IUPACN-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(OCCOCC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-5-7-17-14(4)15-6-8-18-16(11-15)20-10-9-19-12-13(2)3/h6,8,11,13-14,17H,5,7,9-10,12H2,1-4H3
InChIKeyINJACOXPENSMGJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.19
Rot. Bonds10

About N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine

N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine (PubChem CID 106447868) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
PubChem CID106447868
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(OCCOCC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-5-7-17-14(4)15-6-8-18-16(11-15)20-10-9-19-12-13(2)3/h6,8,11,13-14,17H,5,7,9-10,12H2,1-4H3
InChIKeyINJACOXPENSMGJ-UHFFFAOYSA-N
XLogP3.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
N-[1-[2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]ethyl]propan-1-amine
CID 103488781
N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 106447905
N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106597435
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115676446
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine
CID 104562671
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
CID 106451393
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine (CID 106447868) is N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccnc(OCCOCC(C)C)c1.
What is the InChIKey of N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine?
The InChIKey is INJACOXPENSMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-7-17-14(4)15-6-8-18-16(11-15)20-10-9-19-12-13(2)3/h6,8,11,13-14,17H,5,7,9-10,12H2,1-4H3.
What are the key properties of N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine?
N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 106447868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).