N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

C16H29N3O — CID 115505644

IUPACN-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCNC(C)c1ccnc(OCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C16H29N3O/c1-12(2)19(13(3)4)9-10-20-16-11-15(7-8-18-16)14(5)17-6/h7-8,11-14,17H,9-10H2,1-6H3
InChIKeyZEZVCCLGAHKLOU-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.86
Rot. Bonds8

About N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505644) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505644
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCNC(C)c1ccnc(OCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C16H29N3O/c1-12(2)19(13(3)4)9-10-20-16-11-15(7-8-18-16)14(5)17-6/h7-8,11-14,17H,9-10H2,1-6H3
InChIKeyZEZVCCLGAHKLOU-UHFFFAOYSA-N
XLogP2.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
1-[2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylethanamine
CID 106202201
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine
CID 82005773
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 115505515
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506033
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315
6-[2-[di(propan-2-yl)amino]ethoxy]-N-methylpyridin-2-amine
CID 115505944
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106447868
ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505644) is N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is CNC(C)c1ccnc(OCCN(C(C)C)C(C)C)c1.
What is the InChIKey of N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZEZVCCLGAHKLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)19(13(3)4)9-10-20-16-11-15(7-8-18-16)14(5)17-6/h7-8,11-14,17H,9-10H2,1-6H3.
What are the key properties of N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).