1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol

C16H29N3O — CID 102994915

IUPAC1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
SMILESCCN(CC)CCCN(CC)c1cc(C(C)O)ccn1
InChIInChI=1S/C16H29N3O/c1-5-18(6-2)11-8-12-19(7-3)16-13-15(14(4)20)9-10-17-16/h9-10,13-14,20H,5-8,11-12H2,1-4H3
InChIKeyJOJCRHPSVJPIFF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds9

About 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol

1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol (PubChem CID 102994915) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
PubChem CID102994915
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
SMILESCCN(CC)CCCN(CC)c1cc(C(C)O)ccn1
InChIInChI=1S/C16H29N3O/c1-5-18(6-2)11-8-12-19(7-3)16-13-15(14(4)20)9-10-17-16/h9-10,13-14,20H,5-8,11-12H2,1-4H3
InChIKeyJOJCRHPSVJPIFF-UHFFFAOYSA-N
XLogP2.69
TPSA39.60 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

Analyze 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol
CID 103189839
(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol
CID 103955125
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 102997386
3-[cyclobutyl-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864161
(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol
CID 81057807
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-pyridinyl]ethanol
CID 103955147
N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996063
N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine
CID 142855617
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol?
The IUPAC name of 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol (CID 102994915) is 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol?
The canonical SMILES for 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol is CCN(CC)CCCN(CC)c1cc(C(C)O)ccn1.
What is the InChIKey of 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol?
The InChIKey is JOJCRHPSVJPIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-18(6-2)11-8-12-19(7-3)16-13-15(14(4)20)9-10-17-16/h9-10,13-14,20H,5-8,11-12H2,1-4H3.
What are the key properties of 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol?
1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol 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 1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol is sourced from PubChem (CID 102994915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).