N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

C16H28N4 — CID 62279661

IUPACN-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(N2CCCCCCC2)nn1
InChIInChI=1S/C16H28N4/c1-16(2,3)17-13-14-9-10-15(19-18-14)20-11-7-5-4-6-8-12-20/h9-10,17H,4-8,11-13H2,1-3H3
InChIKeyGJKNTTLBEANMBY-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.14
Rot. Bonds3

About N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62279661) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62279661
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(N2CCCCCCC2)nn1
InChIInChI=1S/C16H28N4/c1-16(2,3)17-13-14-9-10-15(19-18-14)20-11-7-5-4-6-8-12-20/h9-10,17H,4-8,11-13H2,1-3H3
InChIKeyGJKNTTLBEANMBY-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (CID 62279661) is N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(N2CCCCCCC2)nn1.
What is the InChIKey of N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GJKNTTLBEANMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)17-13-14-9-10-15(19-18-14)20-11-7-5-4-6-8-12-20/h9-10,17H,4-8,11-13H2,1-3H3.
What are the key properties of N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62279661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).