5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

C15H21N3S — CID 80633966

IUPAC5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)Cc2ccsc2)nc1
InChIInChI=1S/C15H21N3S/c1-3-14(16)8-12-4-5-15(17-9-12)18(2)10-13-6-7-19-11-13/h4-7,9,11,14H,3,8,10,16H2,1-2H3
InChIKeySBYXDSLFGWABAK-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.06
Rot. Bonds6

About 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 80633966) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID80633966
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCCC(N)Cc1ccc(N(C)Cc2ccsc2)nc1
InChIInChI=1S/C15H21N3S/c1-3-14(16)8-12-4-5-15(17-9-12)18(2)10-13-6-7-19-11-13/h4-7,9,11,14H,3,8,10,16H2,1-2H3
InChIKeySBYXDSLFGWABAK-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55236410
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 80634634
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778
5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
CID 80634035
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63785488
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 80633800
5-(2-aminobutyl)-N-ethyl-N-phenylpyridin-2-amine
CID 80633649
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 114066032
5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
CID 80630089
5-(2-aminobutyl)-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 80635244

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 80633966) is 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is CCC(N)Cc1ccc(N(C)Cc2ccsc2)nc1.
What is the InChIKey of 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is SBYXDSLFGWABAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-14(16)8-12-4-5-15(17-9-12)18(2)10-13-6-7-19-11-13/h4-7,9,11,14H,3,8,10,16H2,1-2H3.
What are the key properties of 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80633966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).