N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine

C12H20N2O — CID 63262836

IUPACN-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
SMILESCCCNCCOCCc1cccnc1
InChIInChI=1S/C12H20N2O/c1-2-6-13-8-10-15-9-5-12-4-3-7-14-11-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3
InChIKeyPCIUGEAUTQSNJI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds8

About N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine

N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine (PubChem CID 63262836) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
PubChem CID63262836
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
SMILESCCCNCCOCCc1cccnc1
InChIInChI=1S/C12H20N2O/c1-2-6-13-8-10-15-9-5-12-4-3-7-14-11-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3
InChIKeyPCIUGEAUTQSNJI-UHFFFAOYSA-N
XLogP1.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.64
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-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
CID 106401408
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
N-[[5-bromo-2-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 63264975
N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
CID 65303301
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746685
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine (CID 63262836) is N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine is CCCNCCOCCc1cccnc1.
What is the InChIKey of N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine?
The InChIKey is PCIUGEAUTQSNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-6-13-8-10-15-9-5-12-4-3-7-14-11-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3.
What are the key properties of N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine?
N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63262836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).