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

C15H27N3O — CID 115505619

IUPACN-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1cc([C@H](C)N)ccn1)C(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)18(12(3)4)8-9-19-15-10-14(13(5)16)6-7-17-15/h6-7,10-13H,8-9,16H2,1-5H3/t13-/m0/s1
InChIKeyWJCWOBKGEYWRKQ-ZDUSSCGKSA-N
MW265.40 g/mol
LogP2.60
Rot. Bonds7

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

N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505619) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505619
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1cc([C@H](C)N)ccn1)C(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)18(12(3)4)8-9-19-15-10-14(13(5)16)6-7-17-15/h6-7,10-13H,8-9,16H2,1-5H3/t13-/m0/s1
InChIKeyWJCWOBKGEYWRKQ-ZDUSSCGKSA-N
XLogP2.60
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine with MolForge

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Related Compounds

N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505644
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine
CID 104562671
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
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
6-[2-[di(propan-2-yl)amino]ethoxy]pyridin-2-amine
CID 113325043
(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
CID 114248487
N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506033
ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176
4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82951786
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810
6-[2-[di(propan-2-yl)amino]ethoxy]-N-methylpyridin-2-amine
CID 115505944

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505619) is N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1cc([C@H](C)N)ccn1)C(C)C.
What is the InChIKey of N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is WJCWOBKGEYWRKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)18(12(3)4)8-9-19-15-10-14(13(5)16)6-7-17-15/h6-7,10-13H,8-9,16H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).