5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C15H21N3S — CID 80634373

IUPAC5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)N(Cc1cccs1)c1ccc(CCN)cn1
InChIInChI=1S/C15H21N3S/c1-12(2)18(11-14-4-3-9-19-14)15-6-5-13(7-8-16)10-17-15/h3-6,9-10,12H,7-8,11,16H2,1-2H3
InChIKeyHRQZHAIGQWKJNM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.06
Rot. Bonds6

About 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine

5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 80634373) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID80634373
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)N(Cc1cccs1)c1ccc(CCN)cn1
InChIInChI=1S/C15H21N3S/c1-12(2)18(11-14-4-3-9-19-14)15-6-5-13(7-8-16)10-17-15/h3-6,9-10,12H,7-8,11,16H2,1-2H3
InChIKeyHRQZHAIGQWKJNM-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

5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634233
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 54946484

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 80634373) is 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine is CC(C)N(Cc1cccs1)c1ccc(CCN)cn1.
What is the InChIKey of 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is HRQZHAIGQWKJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12(2)18(11-14-4-3-9-19-14)15-6-5-13(7-8-16)10-17-15/h3-6,9-10,12H,7-8,11,16H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-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-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80634373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).