1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol

C14H20N2O — CID 112585490

IUPAC1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
SMILESC#CCN(CCC)c1ccc(C(O)CC)nc1
InChIInChI=1S/C14H20N2O/c1-4-9-16(10-5-2)12-7-8-13(15-11-12)14(17)6-3/h1,7-8,11,14,17H,5-6,9-10H2,2-3H3
InChIKeyWUZUHKAWLKNBEO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.37
Rot. Bonds6

About 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol

1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 112585490) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID112585490
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
SMILESC#CCN(CCC)c1ccc(C(O)CC)nc1
InChIInChI=1S/C14H20N2O/c1-4-9-16(10-5-2)12-7-8-13(15-11-12)14(17)6-3/h1,7-8,11,14,17H,5-6,9-10H2,2-3H3
InChIKeyWUZUHKAWLKNBEO-UHFFFAOYSA-N
XLogP2.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925
6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 112584549
6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 83127170
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(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
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938619
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355353

Frequently Asked Questions

What is the IUPAC name of 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol (CID 112585490) is 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol is C#CCN(CCC)c1ccc(C(O)CC)nc1.
What is the InChIKey of 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is WUZUHKAWLKNBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-9-16(10-5-2)12-7-8-13(15-11-12)14(17)6-3/h1,7-8,11,14,17H,5-6,9-10H2,2-3H3.
What are the key properties of 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol?
1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).