N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine

C17H24N2OS — CID 105026808

IUPACN-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCCC)c1)c1ccc(C)s1
InChIInChI=1S/C17H24N2OS/c1-4-8-19-17(16-7-6-13(3)21-16)14-10-15(12-18-11-14)20-9-5-2/h6-7,10-12,17,19H,4-5,8-9H2,1-3H3
InChIKeyWNEMPTNGTSABKA-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.33
Rot. Bonds8

About N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine

N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105026808) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID105026808
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCCC)c1)c1ccc(C)s1
InChIInChI=1S/C17H24N2OS/c1-4-8-19-17(16-7-6-13(3)21-16)14-10-15(12-18-11-14)20-9-5-2/h6-7,10-12,17,19H,4-5,8-9H2,1-3H3
InChIKeyWNEMPTNGTSABKA-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105025951
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143320
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026807
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772
[(4,5-dimethylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330062
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
[(5-propoxy-3-pyridinyl)-thiophen-2-ylmethyl]hydrazine
CID 105193764
N-[(3-bromo-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81472156
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
CID 105175758

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine (CID 105026808) is N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(OCCC)c1)c1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is WNEMPTNGTSABKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-8-19-17(16-7-6-13(3)21-16)14-10-15(12-18-11-14)20-9-5-2/h6-7,10-12,17,19H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).