1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol

C16H28N2O — CID 83131569

IUPAC1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol
SMILESCCC(CC)N(CC(C)C)c1ccc(C(C)O)nc1
InChIInChI=1S/C16H28N2O/c1-6-14(7-2)18(11-12(3)4)15-8-9-16(13(5)19)17-10-15/h8-10,12-14,19H,6-7,11H2,1-5H3
InChIKeyDMFDNHAUHKXSKQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.79
Rot. Bonds7

About 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol

1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol (PubChem CID 83131569) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol
PubChem CID83131569
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol
SMILESCCC(CC)N(CC(C)C)c1ccc(C(C)O)nc1
InChIInChI=1S/C16H28N2O/c1-6-14(7-2)18(11-12(3)4)15-8-9-16(13(5)19)17-10-15/h8-10,12-14,19H,6-7,11H2,1-5H3
InChIKeyDMFDNHAUHKXSKQ-UHFFFAOYSA-N
XLogP3.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132626
1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
CID 103189789
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263
5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
CID 115489703
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
CID 83131859
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938619
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 83132747
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol (CID 83131569) is 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol is CCC(CC)N(CC(C)C)c1ccc(C(C)O)nc1.
What is the InChIKey of 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol?
The InChIKey is DMFDNHAUHKXSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-14(7-2)18(11-12(3)4)15-8-9-16(13(5)19)17-10-15/h8-10,12-14,19H,6-7,11H2,1-5H3.
What are the key properties of 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol?
1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol has a molecular weight of 264.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83131569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).