6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine

C15H27N5 — CID 54586763

IUPAC6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine
SMILESCN1CCN(c2cc(N)nc(NCC(C)(C)C)c2)CC1
InChIInChI=1S/C15H27N5/c1-15(2,3)11-17-14-10-12(9-13(16)18-14)20-7-5-19(4)6-8-20/h9-10H,5-8,11H2,1-4H3,(H3,16,17,18)
InChIKeyMAVXZOSDJWSRSB-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.87
Rot. Bonds3

About 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine

6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine (PubChem CID 54586763) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine
PubChem CID54586763
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine
SMILESCN1CCN(c2cc(N)nc(NCC(C)(C)C)c2)CC1
InChIInChI=1S/C15H27N5/c1-15(2,3)11-17-14-10-12(9-13(16)18-14)20-7-5-19(4)6-8-20/h9-10H,5-8,11H2,1-4H3,(H3,16,17,18)
InChIKeyMAVXZOSDJWSRSB-UHFFFAOYSA-N
XLogP1.87
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine (CID 54586763) is 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine is CN1CCN(c2cc(N)nc(NCC(C)(C)C)c2)CC1.
What is the InChIKey of 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine?
The InChIKey is MAVXZOSDJWSRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-15(2,3)11-17-14-10-12(9-13(16)18-14)20-7-5-19(4)6-8-20/h9-10H,5-8,11H2,1-4H3,(H3,16,17,18).
What are the key properties of 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine?
6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethylpropyl)-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine is sourced from PubChem (CID 54586763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).