N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine

C16H28N4 — CID 115498157

IUPACN-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine
SMILESCCCN1CCN(c2cccc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-5-9-19-10-12-20(13-11-19)15-8-6-7-14(17-15)18-16(2,3)4/h6-8H,5,9-13H2,1-4H3,(H,17,18)
InChIKeyTYIPVFOZPZMHEA-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.82
Rot. Bonds4

About N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine

N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine (PubChem CID 115498157) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine
PubChem CID115498157
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine
SMILESCCCN1CCN(c2cccc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-5-9-19-10-12-20(13-11-19)15-8-6-7-14(17-15)18-16(2,3)4/h6-8H,5,9-13H2,1-4H3,(H,17,18)
InChIKeyTYIPVFOZPZMHEA-UHFFFAOYSA-N
XLogP2.82
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine
CID 115498164
2-[4-[6-(propylamino)-2-pyridinyl]piperazin-1-yl]ethanol
CID 80779096
6-(4-propylpiperazin-1-yl)pyridin-2-amine
CID 69447331
N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine
CID 115498426
6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
CID 80766785
N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 113323710
N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
CID 115498516
6-(azepan-1-yl)-N-ethylpyridin-2-amine
CID 80764538
1-propyl-4-[6-(pyridin-4-ylmethoxy)-2-pyridinyl]piperazine
CID 10267689
[6-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 80896715
[6-(4-propylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 80908275
[6-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 80918994

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine (CID 115498157) is N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine is CCCN1CCN(c2cccc(NC(C)(C)C)n2)CC1.
What is the InChIKey of N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is TYIPVFOZPZMHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-9-19-10-12-20(13-11-19)15-8-6-7-14(17-15)18-16(2,3)4/h6-8H,5,9-13H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine?
N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 115498157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).