N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

C16H29N3O — CID 115505728

IUPACN-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCNCc1cccnc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H29N3O/c1-6-17-12-15-8-7-9-18-16(15)20-11-10-19(13(2)3)14(4)5/h7-9,13-14,17H,6,10-12H2,1-5H3
InChIKeyKCNVVOVNODBFLF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds9

About N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505728) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505728
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCNCc1cccnc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H29N3O/c1-6-17-12-15-8-7-9-18-16(15)20-11-10-19(13(2)3)14(4)5/h7-9,13-14,17H,6,10-12H2,1-5H3
InChIKeyKCNVVOVNODBFLF-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine
CID 114470543
N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505882
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N,N-dimethyl-2-[[3-(methylaminomethyl)-2-pyridinyl]oxy]ethanamine
CID 62296479
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486
N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 107668187

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505728) is N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is CCNCc1cccnc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is KCNVVOVNODBFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-17-12-15-8-7-9-18-16(15)20-11-10-19(13(2)3)14(4)5/h7-9,13-14,17H,6,10-12H2,1-5H3.
What are the key properties of N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).