2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine

C15H15N3S — CID 81426142

IUPAC2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1cccc2cccnc12
InChIInChI=1S/C15H15N3S/c16-13-6-8-19-14(13)10-17-9-12-4-1-3-11-5-2-7-18-15(11)12/h1-8,17H,9-10,16H2
InChIKeyKNMVFGOOOHUEQH-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.17
Rot. Bonds4

About 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine

2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine (PubChem CID 81426142) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine
PubChem CID81426142
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCc1cccc2cccnc12
InChIInChI=1S/C15H15N3S/c16-13-6-8-19-14(13)10-17-9-12-4-1-3-11-5-2-7-18-15(11)12/h1-8,17H,9-10,16H2
InChIKeyKNMVFGOOOHUEQH-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065

Frequently Asked Questions

What is the IUPAC name of 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine (CID 81426142) is 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCc1cccc2cccnc12.
What is the InChIKey of 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine?
The InChIKey is KNMVFGOOOHUEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-13-6-8-19-14(13)10-17-9-12-4-1-3-11-5-2-7-18-15(11)12/h1-8,17H,9-10,16H2.
What are the key properties of 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine?
2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine has a molecular weight of 269.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 81426142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).