N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine

C17H24N2S — CID 71095325

IUPACN-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine
SMILESCC(C)c1sc(C(C)(C)C)cc1CNc1ccncc1
InChIInChI=1S/C17H24N2S/c1-12(2)16-13(10-15(20-16)17(3,4)5)11-19-14-6-8-18-9-7-14/h6-10,12H,11H2,1-5H3,(H,18,19)
InChIKeyBKYRLZKXNZQXGQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.18
Rot. Bonds4

About N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine

N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine (PubChem CID 71095325) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine
PubChem CID71095325
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine
SMILESCC(C)c1sc(C(C)(C)C)cc1CNc1ccncc1
InChIInChI=1S/C17H24N2S/c1-12(2)16-13(10-15(20-16)17(3,4)5)11-19-14-6-8-18-9-7-14/h6-10,12H,11H2,1-5H3,(H,18,19)
InChIKeyBKYRLZKXNZQXGQ-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine (CID 71095325) is N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine is CC(C)c1sc(C(C)(C)C)cc1CNc1ccncc1.
What is the InChIKey of N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine?
The InChIKey is BKYRLZKXNZQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(2)16-13(10-15(20-16)17(3,4)5)11-19-14-6-8-18-9-7-14/h6-10,12H,11H2,1-5H3,(H,18,19).
What are the key properties of N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine?
N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine has a molecular weight of 288.46 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-2-propan-2-ylthiophen-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 71095325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).