N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

C16H27N3O — CID 102740671

IUPACN-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCCNCc1cc(CC)nc(OCCN(C)C2CC2)c1
InChIInChI=1S/C16H27N3O/c1-4-14-10-13(12-17-5-2)11-16(18-14)20-9-8-19(3)15-6-7-15/h10-11,15,17H,4-9,12H2,1-3H3
InChIKeyMCVWQIRHDGJHME-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.23
Rot. Bonds9

About N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740671) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740671
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCCNCc1cc(CC)nc(OCCN(C)C2CC2)c1
InChIInChI=1S/C16H27N3O/c1-4-14-10-13(12-17-5-2)11-16(18-14)20-9-8-19(3)15-6-7-15/h10-11,15,17H,4-9,12H2,1-3H3
InChIKeyMCVWQIRHDGJHME-UHFFFAOYSA-N
XLogP2.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (CID 102740671) is N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is CCNCc1cc(CC)nc(OCCN(C)C2CC2)c1.
What is the InChIKey of N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is MCVWQIRHDGJHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-14-10-13(12-17-5-2)11-16(18-14)20-9-8-19(3)15-6-7-15/h10-11,15,17H,4-9,12H2,1-3H3.
What are the key properties of N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).