N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine

C17H24N2OS — CID 105176149

IUPACN-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cncc(OC(C)C)c1
InChIInChI=1S/C17H24N2OS/c1-4-6-19-17(8-14-5-7-21-12-14)15-9-16(11-18-10-15)20-13(2)3/h5,7,9-13,17,19H,4,6,8H2,1-3H3
InChIKeyHMLPPOVUQCSKTK-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.21
Rot. Bonds8

About N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 105176149) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID105176149
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cncc(OC(C)C)c1
InChIInChI=1S/C17H24N2OS/c1-4-6-19-17(8-14-5-7-21-12-14)15-9-16(11-18-10-15)20-13(2)3/h5,7,9-13,17,19H,4,6,8H2,1-3H3
InChIKeyHMLPPOVUQCSKTK-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
[1-(5-ethoxy-3-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105329994
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
3-N-propyl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-diamine
CID 104533484
N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105176097
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
CID 105121291
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 105176149) is N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1cncc(OC(C)C)c1.
What is the InChIKey of N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is HMLPPOVUQCSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-6-19-17(8-14-5-7-21-12-14)15-9-16(11-18-10-15)20-13(2)3/h5,7,9-13,17,19H,4,6,8H2,1-3H3.
What are the key properties of N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105176149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).