N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine

C15H26N2O — CID 83044289

IUPACN-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
SMILESCCCC(CNCC)OCCCc1ccncc1
InChIInChI=1S/C15H26N2O/c1-3-6-15(13-16-4-2)18-12-5-7-14-8-10-17-11-9-14/h8-11,15-16H,3-7,12-13H2,1-2H3
InChIKeyBFYIABWWSRBQHV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds10

About N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine

N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine (PubChem CID 83044289) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
PubChem CID83044289
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
SMILESCCCC(CNCC)OCCCc1ccncc1
InChIInChI=1S/C15H26N2O/c1-3-6-15(13-16-4-2)18-12-5-7-14-8-10-17-11-9-14/h8-11,15-16H,3-7,12-13H2,1-2H3
InChIKeyBFYIABWWSRBQHV-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
CID 83044112
N-methyl-2-(3-pyridin-4-ylpropoxy)butan-1-amine
CID 62450954
N-methyl-2-(3-phenylpropoxy)pentan-1-amine
CID 83045802
N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
CID 55077915
3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine
CID 103227977
2-(3-pyridin-4-ylpropoxy)hexanoic acid
CID 113373469
3-pyridin-4-ylpropyl 2-methylpentanoate
CID 78841674
methyl 5-[1-(3-pyridin-4-ylpropoxy)ethyl]furan-2-carboxylate
CID 79086279
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535
2-(2-cyclopropylethoxy)-N-ethylpentan-1-amine
CID 106205949
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
4-(4,4-difluorobutyl)pyridine
CID 141084245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine?
The IUPAC name of N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine (CID 83044289) is N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine is CCCC(CNCC)OCCCc1ccncc1.
What is the InChIKey of N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine?
The InChIKey is BFYIABWWSRBQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-6-15(13-16-4-2)18-12-5-7-14-8-10-17-11-9-14/h8-11,15-16H,3-7,12-13H2,1-2H3.
What are the key properties of N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine?
N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine is sourced from PubChem (CID 83044289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).