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

C14H24N2O — CID 103938356

IUPAC(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCCN(c1ccc([C@@H](O)CC)nc1)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-9-16(11(3)4)12-7-8-13(15-10-12)14(17)6-2/h7-8,10-11,14,17H,5-6,9H2,1-4H3/t14-/m0/s1
InChIKeyKJQLWPLDCIOQBT-AWEZNQCLSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds6

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

(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938356) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938356
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCCN(c1ccc([C@@H](O)CC)nc1)C(C)C
InChIInChI=1S/C14H24N2O/c1-5-9-16(11(3)4)12-7-8-13(15-10-12)14(17)6-2/h7-8,10-11,14,17H,5-6,9H2,1-4H3/t14-/m0/s1
InChIKeyKJQLWPLDCIOQBT-AWEZNQCLSA-N
XLogP3.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112585369
(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
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 112585490
(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938524
5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
CID 115488219
(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
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol (CID 103938356) is (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol is CCCN(c1ccc([C@@H](O)CC)nc1)C(C)C.
What is the InChIKey of (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is KJQLWPLDCIOQBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-9-16(11(3)4)12-7-8-13(15-10-12)14(17)6-2/h7-8,10-11,14,17H,5-6,9H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).