4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine

C15H27N3O2 — CID 82951786

IUPAC4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
SMILESCCOCCN(CCOCC)c1cc([C@H](C)N)ccn1
InChIInChI=1S/C15H27N3O2/c1-4-19-10-8-18(9-11-20-5-2)15-12-14(13(3)16)6-7-17-15/h6-7,12-13H,4-5,8-11,16H2,1-3H3/t13-/m0/s1
InChIKeyPQLBGFMFJMWBPA-ZDUSSCGKSA-N
MW281.40 g/mol
LogP1.98
Rot. Bonds10

About 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine

4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine (PubChem CID 82951786) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
PubChem CID82951786
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
SMILESCCOCCN(CCOCC)c1cc([C@H](C)N)ccn1
InChIInChI=1S/C15H27N3O2/c1-4-19-10-8-18(9-11-20-5-2)15-12-14(13(3)16)6-7-17-15/h6-7,12-13H,4-5,8-11,16H2,1-3H3/t13-/m0/s1
InChIKeyPQLBGFMFJMWBPA-ZDUSSCGKSA-N
XLogP1.98
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
CID 82950852
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
CID 82960073
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
4-[(1S)-1-aminoethyl]-2-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81055137
1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine
CID 82960632
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103339243
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82961058
2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863980
N,N-bis(2-ethoxyethyl)-2-hydrazinylpyridin-4-amine
CID 113368280
2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine?
The IUPAC name of 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine (CID 82951786) is 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine is CCOCCN(CCOCC)c1cc([C@H](C)N)ccn1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine?
The InChIKey is PQLBGFMFJMWBPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-19-10-8-18(9-11-20-5-2)15-12-14(13(3)16)6-7-17-15/h6-7,12-13H,4-5,8-11,16H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine?
4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine is sourced from PubChem (CID 82951786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).