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

C16H23N3S — CID 80634233

IUPAC5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(N)Cc1ccc(N(Cc2cccs2)C(C)C)nc1
InChIInChI=1S/C16H23N3S/c1-12(2)19(11-15-5-4-8-20-15)16-7-6-14(10-18-16)9-13(3)17/h4-8,10,12-13H,9,11,17H2,1-3H3
InChIKeyNUKGMMXWEYCMMI-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.45
Rot. Bonds6

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

5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 80634233) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID80634233
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(N)Cc1ccc(N(Cc2cccs2)C(C)C)nc1
InChIInChI=1S/C16H23N3S/c1-12(2)19(11-15-5-4-8-20-15)16-7-6-14(10-18-16)9-13(3)17/h4-8,10,12-13H,9,11,17H2,1-3H3
InChIKeyNUKGMMXWEYCMMI-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634373
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325
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
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 54946484
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
6-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 64589255
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63817228

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 80634233) is 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine is CC(N)Cc1ccc(N(Cc2cccs2)C(C)C)nc1.
What is the InChIKey of 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is NUKGMMXWEYCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(2)19(11-15-5-4-8-20-15)16-7-6-14(10-18-16)9-13(3)17/h4-8,10,12-13H,9,11,17H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80634233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).