1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol

C16H22N2OS — CID 115940490

IUPAC1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C(C)Cc2cccs2)cn1
InChIInChI=1S/C16H22N2OS/c1-4-16(19)15-8-7-13(11-17-15)18(3)12(2)10-14-6-5-9-20-14/h5-9,11-12,16,19H,4,10H2,1-3H3
InChIKeyRDFLMXQNXGJICJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.65
Rot. Bonds6

About 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol

1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 115940490) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
PubChem CID115940490
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C(C)Cc2cccs2)cn1
InChIInChI=1S/C16H22N2OS/c1-4-16(19)15-8-7-13(11-17-15)18(3)12(2)10-14-6-5-9-20-14/h5-9,11-12,16,19H,4,10H2,1-3H3
InChIKeyRDFLMXQNXGJICJ-UHFFFAOYSA-N
XLogP3.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938524
N-methyl-6-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 83127076
5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
CID 104535249
(1R)-1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131618
1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131534
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 79476306
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325
(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol (CID 115940490) is 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N(C)C(C)Cc2cccs2)cn1.
What is the InChIKey of 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is RDFLMXQNXGJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-16(19)15-8-7-13(11-17-15)18(3)12(2)10-14-6-5-9-20-14/h5-9,11-12,16,19H,4,10H2,1-3H3.
What are the key properties of 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol?
1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).