N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine

C14H24N2O — CID 54956617

IUPACN-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
SMILESCC(C)CCOCCNCCc1cccnc1
InChIInChI=1S/C14H24N2O/c1-13(2)6-10-17-11-9-15-8-5-14-4-3-7-16-12-14/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3
InChIKeyJZZVBICULGIQAR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds9

About N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine

N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine (PubChem CID 54956617) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
PubChem CID54956617
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
SMILESCC(C)CCOCCNCCc1cccnc1
InChIInChI=1S/C14H24N2O/c1-13(2)6-10-17-11-9-15-8-5-14-4-3-7-16-12-14/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3
InChIKeyJZZVBICULGIQAR-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
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-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
CID 63262836
N-(2-but-3-enoxyethyl)-2-pyridin-3-ylethanamine
CID 106401408
2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 107852103
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
3-(5-methylhexyl)pyridine
CID 54316004
3-(14-methylpentadecyl)pyridine
CID 19697272
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 28671880
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine (CID 54956617) is N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine is CC(C)CCOCCNCCc1cccnc1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine?
The InChIKey is JZZVBICULGIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)6-10-17-11-9-15-8-5-14-4-3-7-16-12-14/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine?
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 54956617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).