N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C16H19N3S — CID 63001715

IUPACN-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1nn(C)c2ccccc12)c1cccs1
InChIInChI=1S/C16H19N3S/c1-3-13(16-9-6-10-20-16)17-11-14-12-7-4-5-8-15(12)19(2)18-14/h4-10,13,17H,3,11H2,1-2H3
InChIKeyDZXVYAMUBYRORU-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.88
Rot. Bonds5

About N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 63001715) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID63001715
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1nn(C)c2ccccc12)c1cccs1
InChIInChI=1S/C16H19N3S/c1-3-13(16-9-6-10-20-16)17-11-14-12-7-4-5-8-15(12)19(2)18-14/h4-10,13,17H,3,11H2,1-2H3
InChIKeyDZXVYAMUBYRORU-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513
N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 63001054
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
N-(isoquinolin-4-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 115904955
N-[(1-methylindazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091933
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 63001715) is N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1nn(C)c2ccccc12)c1cccs1.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is DZXVYAMUBYRORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-13(16-9-6-10-20-16)17-11-14-12-7-4-5-8-15(12)19(2)18-14/h4-10,13,17H,3,11H2,1-2H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63001715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).