2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine

C13H16N2OS — CID 61375576

IUPAC2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1ccsc1
InChIInChI=1S/C13H16N2OS/c1-10(2)16-13-12(4-3-6-14-13)15-8-11-5-7-17-9-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyYANJWPPEPSJKRA-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.54
Rot. Bonds5

About 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine

2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine (PubChem CID 61375576) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
PubChem CID61375576
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1ccsc1
InChIInChI=1S/C13H16N2OS/c1-10(2)16-13-12(4-3-6-14-13)15-8-11-5-7-17-9-11/h3-7,9-10,15H,8H2,1-2H3
InChIKeyYANJWPPEPSJKRA-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375574
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 63047282
N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine
CID 75386232
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
CID 103243918
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine (CID 61375576) is 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine is CC(C)Oc1ncccc1NCc1ccsc1.
What is the InChIKey of 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine?
The InChIKey is YANJWPPEPSJKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(2)16-13-12(4-3-6-14-13)15-8-11-5-7-17-9-11/h3-7,9-10,15H,8H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine?
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine has a molecular weight of 248.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 61375576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).