1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol

C16H28N2O — CID 112585369

IUPAC1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCCCCCN(c1ccc(C(O)CC)nc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-5-7-8-11-18(13(3)4)14-9-10-15(17-12-14)16(19)6-2/h9-10,12-13,16,19H,5-8,11H2,1-4H3
InChIKeyRGWAGOREUQLAJH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.93
Rot. Bonds8

About 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol

1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 112585369) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
PubChem CID112585369
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCCCCCN(c1ccc(C(O)CC)nc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-5-7-8-11-18(13(3)4)14-9-10-15(17-12-14)16(19)6-2/h9-10,12-13,16,19H,5-8,11H2,1-4H3
InChIKeyRGWAGOREUQLAJH-UHFFFAOYSA-N
XLogP3.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
(1S)-1-[5-[2-methoxyethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938942
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 83122766
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 115939424
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938524
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 112585490
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938619
(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333

Frequently Asked Questions

What is the IUPAC name of 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol (CID 112585369) is 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol is CCCCCN(c1ccc(C(O)CC)nc1)C(C)C.
What is the InChIKey of 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is RGWAGOREUQLAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-7-8-11-18(13(3)4)14-9-10-15(17-12-14)16(19)6-2/h9-10,12-13,16,19H,5-8,11H2,1-4H3.
What are the key properties of 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol?
1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).